SCHEMBL8556924

SCHEMBL8556924

O=[N+]([O-])c1ccc(C[C@H](NBr)c2csc(-c3ccccc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CCR3 P51677 4/20 0.41
APP P05067 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8522780 0.89 PTPRB (0.46) PTPRBMEN1KMT2AMAPTLMNA
SCHEMBL686405 0.86 PTPRB (0.44) PTPRBMEN1KMT2AMAPTLMNA
SCHEMBL17085750 0.86 PTPRB (0.44) PTPRBMEN1KMT2AMAPTLMNA
SCHEMBL684367 0.82 MAPT (0.48) PTPRBMEN1KMT2AMAPTLMNA
SCHEMBL684358 0.82 MAPT (0.48) PTPRBMEN1KMT2AMAPTLMNA
SCHEMBL8769233 0.82 MAPT (0.48) PTPRBMEN1KMT2AMAPTLMNA
SCHEMBL3606138 0.81 PTPRB (0.58) PTPRBMEN1KMT2ACCR3
SCHEMBL3606140 0.81 PTPRB (0.58) PTPRBMEN1KMT2ACCR3
Bromide SCHEMBL27753219 0.81 MAPT (0.47) PTPRBMEN1KMT2AMAPTLMNA
Bromide SCHEMBL500372 0.81 MAPT (0.47) PTPRBMEN1KMT2AMAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170319602-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint, Inc. 2017-11-09 US disclosed
US-9440963-B2 Compositions, formulations and methods for treating ocular diseases AERPIO THERAPEUTICS, INC. (US) 2016-09-13 US disclosed
US-20160220540-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2016-08-04 US disclosed
US-20160220541-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2016-08-04 US disclosed
US-20160008327-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASASIS OF CANCER CELLS EyePoint, Inc. 2016-01-14 US disclosed
US-9174950-B2 Compounds, compositions, and methods for preventing metastasis of cancer cells AERPIO THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-9096555-B2 Methods for treating vascular leak syndrome AERPIO THERAPEUTICS, INC. (US) 2015-08-04 US disclosed
US-20150050277-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES AERPIO THERAPEUTICS INC. (US) 2015-02-19 US disclosed
US-20140378445-A9 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2014-12-25 US disclosed
US-8883832-B2 Compounds, compositions, and methods for preventing metastasis of cancer cells AERPIO THERAPEUTICS INC. (US) 2014-11-11 US disclosed
US-20140288134-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES AERPIO THERAPEUTICS INC. (US) 2014-09-25 US disclosed
US-20140275103-A1 Compositions, formulations and methods for treating ocular diseases AERPIO THERAPEUTICS INC. (US) 2014-09-18 US disclosed
US-20140249100-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AERPIO THERAPEUTICS INC. (US) 2014-09-04 US disclosed
US-20140242026-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EyePoint, Inc. 2014-08-28 US disclosed
US-20140179693-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME SHALWITZ ROBERT (US) 2014-06-26 US disclosed
US-8569348-B2 Compounds, compositions, and methods for preventing metastasis of cancer cells AERPIO THERAPEUTICS INC. (US) 2013-10-29 US disclosed
US-20130023542-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE AERPIO THERAPEUTICS INC. (US) 2013-01-24 US disclosed
US-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EyePoint, Inc. 2012-05-24 US disclosed
US-7589212-B2 {4-[2-(5-methyl-[1,3,4]thiadiazol-2-ylamino)-2-(4-phenylthiazol-2-yl)-ethyl]phenyl}sulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis PROCTER & GAMBLE COMPANY (US) 2009-09-15 US disclosed
US-20070299116-A1 {4-[2-(5-methyl-[1,3,4]thiadiazol-2-ylamino)-2-(4-phenylthiazol-2-yl)-ethyl]phenyl}sulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis THE PROCTER & GAMBLE COMPANY (US) 2007-12-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160220541-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR PTPRB 609/4885MEN1 875/4885KMT2A 1502/4885
US-20140242026-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 PTPRB 1445/4885MEN1 969/4885KMT2A 4229/4885
US-20170319602-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES VEGFA, FLT4, AQP3 PTPRB 2215/4885MEN1 4668/4885KMT2A 4778/4885
US-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 PTPRB 1445/4885MEN1 969/4885KMT2A 4229/4885
US-20070299116-A1 {4-[2-(5-methyl-[1,3,4]thiadiazol-2-ylamino)-2-(4-phenylthiazol-2-yl)-ethyl]phenyl}sulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis DUSP15, PPP5C, DUSP1 PTPRB 79/4885MEN1 4526/4885KMT2A 3966/4885
US-20140288134-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 PTPRB 1894/4885MEN1 4832/4885KMT2A 4818/4885
US-20140378445-A9 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, EPCAM PTPRB 422/4885MEN1 1364/4885KMT2A 3888/4885
US-20140275103-A1 Compositions, formulations and methods for treating ocular diseases TIE1, TEK, KDR PTPRB 609/4885MEN1 875/4885KMT2A 1502/4885
US-20140249100-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 PTPRB 1445/4885MEN1 969/4885KMT2A 4229/4885
US-20140179693-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, EPCAM PTPRB 422/4885MEN1 1364/4885KMT2A 3888/4885
US-20160008327-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASASIS OF CANCER CELLS TSG101, MMP8, EPCAM PTPRB 841/4885MEN1 140/4885KMT2A 3918/4885
US-20160220540-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR PTPRB 609/4885MEN1 875/4885KMT2A 1502/4885
US-20130023542-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C PTPRB 47/4885MEN1 3881/4885KMT2A 3554/4885
US-20150050277-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES VEGFA, FLT4, AQP3 PTPRB 2215/4885MEN1 4668/4885KMT2A 4778/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.