SCHEMBL684608

SCHEMBL684608

O=[N+]([O-])c1ccc(C[C@H](Nc2nc(-c3cccc(CO)c3)cs2)c2csc(-c3cccs3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 6/20 0.45
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
MAPT P10636 5/20 0.39
ROCK1 Q13464 1/20 0.39
VCP P55072 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
CSNK2A1 P68400 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
MCL1 Q07820 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL12943883 0.88 PTPRB (0.43) PTPRBMEN1KMT2AMAOAMAOB
SCHEMBL686535 0.88 MAPT (0.47) PTPRBMEN1KMT2AMAOAMAOB
SCHEMBL683507 0.87 PTPRB (0.52) PTPRBMEN1KMT2ARAB9A
SCHEMBL8769454 0.85 PTPRB (0.64) PTPRB
SCHEMBL16079949 0.85 PTPRB (0.46) PTPRBMEN1KMT2AMAPTROCK1
SCHEMBL684350 0.83 MEN1 (0.43) PTPRBMEN1KMT2AMAOAMAOB
SCHEMBL19945956 0.80 PTPRB (0.46) PTPRBMEN1KMT2AMAPTVCP
SCHEMBL3551815 0.80 PTPRB (0.46) PTPRBMEN1KMT2AMAPTVCP
SCHEMBL29794284 0.80 PTPRB (0.46) PTPRBMEN1KMT2AMAPTVCP
SCHEMBL23303479 0.78 PTPRB (0.51) PTPRBMEN1KMT2AMAPTHTT

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-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-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-20140066458-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2014-03-06 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-8329916-B2 Human protein tyrosine phosphatase inhibitors and method of use AERPIO THERAPEUTICS INC. (US) 2012-12-11 US disclosed
US-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES EyePoint Pharmaceuticals, Inc. 2012-05-24 US disclosed
US-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EyePoint, Inc. 2012-05-24 US disclosed
US-20120077975-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHOD OF USE EyePoint Pharmaceuticals, Inc. 2012-03-29 US disclosed
US-8106078-B2 Human protein tyrosine phosphatase inhibitors and methods of use WARNER CHILCOTT COMPANY, LLC (US) 2012-01-31 US disclosed
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2011-11-03 US disclosed
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2011-09-01 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-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 PTPRB 1894/4885MEN1 4832/4885KMT2A 4818/4885
US-20140242026-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 PTPRB 1445/4885MEN1 969/4885KMT2A 4229/4885
US-20140066458-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 PTPRB 551/4885MEN1 999/4885KMT2A 3236/4885
US-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 PTPRB 1445/4885MEN1 969/4885KMT2A 4229/4885
US-20140288134-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 PTPRB 1894/4885MEN1 4832/4885KMT2A 4818/4885
US-20120077975-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHOD OF USE PTPRCAP, PPP5C, PTPRO PTPRB 40/4885MEN1 3862/4885KMT2A 3527/4885
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C PTPRB 47/4885MEN1 3881/4885KMT2A 3554/4885
US-20140378445-A9 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, EPCAM PTPRB 422/4885MEN1 1364/4885KMT2A 3888/4885
US-20140249100-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 PTPRB 1445/4885MEN1 969/4885KMT2A 4229/4885
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 PTPRB 551/4885MEN1 999/4885KMT2A 3236/4885
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-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.