SCHEMBL686535

SCHEMBL686535

COc1cccc(-c2csc(N[C@@H](Cc3ccc([N+](=O)[O-])cc3)c3csc(-c4cccs4)n3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
PTPRB P23467 6/20 0.44
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 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
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 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
SCHEMBL684608 0.88 PTPRB (0.45) MAPTMEN1KMT2APTPRBMAOB
SCHEMBL12943883 0.87 PTPRB (0.43) MAPTMEN1KMT2APTPRBMAOB
SCHEMBL8523603 0.87 PTPRB (0.52) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL500494 0.85 PTPRB (0.63) MAPTKDM4EPOLBPTPRB
SCHEMBL500493 0.85 PTPRB (0.63) MAPTKDM4EPOLBPTPRB
SCHEMBL3551815 0.85 PTPRB (0.46) MAPTMEN1KMT2AKDM4EPTPRB
SCHEMBL29794284 0.85 PTPRB (0.46) MAPTMEN1KMT2AKDM4EPTPRB
SCHEMBL19945956 0.85 PTPRB (0.46) MAPTMEN1KMT2AKDM4EPTPRB
SCHEMBL1709804 0.84 MAPT (0.47) MAPTMEN1KMT2APTPRBMAOB
SCHEMBL870698 0.84 PTPRB (0.57) MAPTMEN1KMT2AKDM4EPOLB

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 31 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
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
WO-2012047966-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES AKEBIA THERAPEUTICS INC. (US) 2012-04-12 WO 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
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
CN-101506180-A Human protein tyrosine phosphatase inhibitors and methods of use PROCTER & GAMBLE (US) 2009-08-12 CN 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 (10 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-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-20140378445-A9 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, EPCAM MAPT 4458/4885MEN1 1364/4885KMT2A 3888/4885
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 MAPT 4517/4885MEN1 999/4885KMT2A 3236/4885
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-20150050277-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES VEGFA, FLT4, AQP3 MAPT 1890/4885MEN1 4668/4885KMT2A 4778/4885
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.