SCHEMBL1760864

SCHEMBL1760864

Cc1sc(C(=O)O)c(O)c1Br

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 11/20 0.55
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
DAO P14920 1/20 0.34
KMT2A Q03164 1/20 0.34
PKM P14618 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL30564376 0.82 GPR35 (0.41) GPR35ALDH1A1HPGDTSHRKDM4E
SCHEMBL2727696 0.82 GPR35 (0.66) GPR35ALDH1A1HPGDTSHRPTPN1
SCHEMBL476351 0.79 GPR35 (0.67) GPR35TSHRPTPN1DAO
SCHEMBL7233575 0.78 GPR35 (0.52) GPR35ALDH1A1HPGDTSHRPTPN1
SCHEMBL9826280 0.78 GPR35 (0.52) GPR35ALDH1A1HPGDTSHRPTPN1
SCHEMBL31398791 0.77 GPR35 (0.38) GPR35MEN1KMT2A
SCHEMBL9825814 0.77 MAPT (0.50) GPR35ALDH1A1HPGDTSHRKDM4E
SCHEMBL1760858 0.75 GPR35 (0.49) GPR35ALDH1A1HPGDPTPN1
SCHEMBL731095 0.72 GPR35 (0.50) GPR35ALDH1A1HPGDTSHRKDM4E
SCHEMBL9370925 0.71 GPR35 (0.48) GPR35ALDH1A1HPGDTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308662-B2 Thienopyranones as kinase and epigenetic inhibitors Signal Rx Pharmaceuticals., Inc. (US) 2019-06-04 US disclosed
US-20170334925-A1 Thienopyranones as Kinase and Epigenetic Inhibitors SIGNALRX PHARMACEUTICALS, INC. (US) 2017-11-23 US disclosed
US-20170101418-A1 Thienopyranones as Kinase and Epigenetic Inhibitors SIGNALRX PHARMACEUTICALS, INC. (US) 2017-04-13 US disclosed
US-9505780-B2 Thienopyranones as kinase and epigenetic inhibitors SIGNALRX PHARMACEUTICALS, INC. (US) 2016-11-29 US disclosed
US-20150344494-A1 Thienopyranones as Kinase and Epigenetic Inhibitors SIGNALRX PHARMACEUTICALS, INC. (US) 2015-12-03 US disclosed
EP-1697354-B1 ISOTHIAZOLE DIOXIDES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME (US) 2013-08-07 EP disclosed
EP-1745032-B1 CXCR1 and CXCR2 chemokine antagonists MERCK SHARP & DOHME (US) 2013-07-31 EP disclosed
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 US disclosed
US-7964646-B2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-06-21 US disclosed
US-7947720-B2 3,4-di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-05-24 US disclosed
WO-2004033440-A1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2004-04-22 WO disclosed
US-20040034229-A1 3,4-Di-substituted maleimide compounds as CXC chemokine receptor antagonists SCHERING CORPORATION 2004-02-19 US disclosed
EP-1381590-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS Schering Corporation (US) 2004-01-21 EP disclosed
US-20030204085-A1 3, 4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor antagonists PHARMACOPEIA, INC. 2003-10-30 US disclosed
EP-1355875-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1, 2-DIONES AS CXC CHEMOKINE RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2003-10-29 EP disclosed
US-20030097004-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC chemokine receptor antagonists SCHERING CORPORATION 2003-05-22 US disclosed
WO-2003031440-A1 3,4-DI-SUBSTITUTED MALEIMIDE COMPOUNDS AS CXC-CHEMOKINE RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2003-04-17 WO disclosed
WO-2002083624-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2002-10-24 WO disclosed
WO-2002076926-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1, 2-DIONES AS CXC CHEMOKINE RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2002-10-03 WO disclosed
WO-2000064904-A1 5,7-BICYCLIC AMIDINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2000-11-02 WO 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 (8 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-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands CCR1, ACKR3, CXCR1 GPR35 144/4885ALDH1A1 1019/4885HPGD 200/4885
US-20170101418-A1 Thienopyranones as Kinase and Epigenetic Inhibitors MYC, BRD4, MKNK1 GPR35 4593/4885ALDH1A1 3334/4885HPGD 3347/4885
US-20040034229-A1 3,4-Di-substituted maleimide compounds as CXC chemokine receptor antagonists CXCR1, CCR1, CCL2 GPR35 270/4885ALDH1A1 704/4885HPGD 404/4885
US-20170334925-A1 Thienopyranones as Kinase and Epigenetic Inhibitors MYC, BRD4, MYCBP GPR35 4506/4885ALDH1A1 3116/4885HPGD 3244/4885
US-20030097004-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC chemokine receptor antagonists CCR1, ACKR3, CXCR1 GPR35 146/4885ALDH1A1 797/4885HPGD 123/4885
US-20030204085-A1 3, 4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor antagonists CCR1, CXCR1, ACKR3 GPR35 147/4885ALDH1A1 854/4885HPGD 154/4885
US-10308662-B2 Thienopyranones as kinase and epigenetic inhibitors MYC, BRD4, MYCBP GPR35 4506/4885ALDH1A1 3116/4885HPGD 3244/4885
US-20150344494-A1 Thienopyranones as Kinase and Epigenetic Inhibitors MYC, BRD4, MKNK1 GPR35 4572/4885ALDH1A1 3059/4885HPGD 3182/4885

“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.