SCHEMBL1709804

SCHEMBL1709804

COc1cccc(-c2csc(N[C@@H](Cc3ccc([N+](=O)[O-])cc3)c3csc(C4CC4)n3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
PTPRB P23467 2/20 0.43
MAOB P27338 10/20 0.43
MAOA P21397 9/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RECQL P46063 1/20 0.41
LMNA P02545 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
SCHEMBL24767334 0.90 MAOA (0.43) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL20787754 0.88 NPC1 (0.47) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL684350 0.88 MEN1 (0.43) MAPTMEN1KMT2ARAB9APTPRB
SCHEMBL27772341 0.87 PTPRB (0.46) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL500279 0.87 PTPRB (0.44) MAPTMEN1KMT2ARAB9APTPRB
SCHEMBL29794289 0.87 PTPRB (0.44) MAPTMEN1KMT2ARAB9APTPRB
SCHEMBL500280 0.87 PTPRB (0.44) MAPTMEN1KMT2ARAB9APTPRB
SCHEMBL12944156 0.87 MAOA (0.40) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL20787771 0.86 NPC1 (0.47) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL20787753 0.86 NPC1 (0.50) MAPTMEN1KMT2ARAB9ANPC1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10220048-B2 Compositions and methods for treating ocular diseases AERPIO THERAPEUTICS, INC. (US) 2019-03-05 US disclosed
US-9949956-B2 Compounds, compositions, and methods for preventing metastasis of cancer cells AERPIO THERAPEUTICS, INC. (US) 2018-04-24 US disclosed
US-20180037579-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES EyePoint Pharmaceuticals, Inc. 2018-02-08 US disclosed
US-20170319602-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint, Inc. 2017-11-09 US disclosed
EP-2592073-B1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND THEIR USE AERPIO THERAPEUTICS INC (US) 2017-08-30 EP 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-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-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2011-09-01 US disclosed
WO-2011005330-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AKEBIA THERAPEUTICS INC. (US) 2011-01-13 WO disclosed
US-7795444-B2 Human protein tyrosine phosphatase inhibitors and methods of use Warner Chilcott Company (US) 2010-09-14 US disclosed
US-7795444-B2 Human protein tyrosine phosphatase inhibitors and methods of use Warner Chilcott Company (US) 2010-09-14 US disclosed
WO-2010081172-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME AKEBIA THERAPEUTICS INC. (US) 2010-07-15 WO disclosed
WO-2008002570-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 US disclosed
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 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 (9 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 MAPT 650/4885MEN1 875/4885KMT2A 1502/4885
US-20170319602-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES VEGFA, FLT4, AQP3 MAPT 1890/4885MEN1 4668/4885KMT2A 4778/4885
US-20120077975-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHOD OF USE PTPRCAP, PPP5C, PTPRO MAPT 3034/4885MEN1 3862/4885KMT2A 3527/4885
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C MAPT 3021/4885MEN1 3881/4885KMT2A 3554/4885
US-10220048-B2 Compositions and methods for treating ocular diseases VEGFA, FLT4, AQP3 MAPT 1890/4885MEN1 4668/4885KMT2A 4778/4885
US-20160008327-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASASIS OF CANCER CELLS TSG101, MMP8, EPCAM MAPT 3504/4885MEN1 140/4885KMT2A 3918/4885
US-20180037579-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 MAPT 1793/4885MEN1 4832/4885KMT2A 4818/4885
US-20160220540-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR MAPT 650/4885MEN1 875/4885KMT2A 1502/4885
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use PTPRCAP, PTPRC, PPP5C MAPT 3021/4885MEN1 3881/4885KMT2A 3554/4885

“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.