SCHEMBL4491485

SCHEMBL4491485

CCc1ccc(CNS(C)(=O)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.51
CA2 P00918 3/20 0.47
MEN1 O00255 2/20 0.45
CNR2 P34972 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.44
CA12 O43570 2/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NAMPT P43490 1/20 0.43
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
UCHL1 P09936 1/20 0.42

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
SCHEMBL14325846 0.83 KMT2A (0.58) KMT2AKDM4EPOLBTSHRRECQL
SCHEMBL14852 0.83 KMT2A (0.61) KMT2AKDM4EPOLBTSHRRECQL
SCHEMBL3605081 0.83 KMT2A (0.61) KMT2AKDM4EPOLBTSHRRECQL
SCHEMBL13895359 0.83 KMT2A (0.49) KMT2AKDM4EPOLBCA2MEN1
SCHEMBL3599158 0.81 KMT2A (0.59) KMT2AKDM4EPOLBTSHRRECQL
SCHEMBL2100494 0.81 KMT2A (0.59) KMT2AKDM4EPOLBTSHRRECQL
SCHEMBL5314524 0.81 KMT2A (0.59) KMT2AKDM4EPOLBTSHRRECQL
SCHEMBL22497546 0.81 KMT2A (0.59) KMT2AKDM4EPOLBTSHRRECQL
SCHEMBL7230378 0.81 KMT2A (0.65) KMT2AKDM4EPOLBTSHRRECQL
SCHEMBL16479548 0.81 CA2 (0.66) KMT2ACA2MEN1LMNAHPGD

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133128-B2 Pyrazole derivatives as cannabinoid receptor 1 antagonists RESEARCH TRIANGLE INSTITUTE (US) 2015-09-15 US disclosed
US-20140107157-A1 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2014-04-17 US disclosed
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-20 US disclosed
US-8318733-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-27 US disclosed
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-13 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-7973038-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-05 US disclosed
US-7956052-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-07 US disclosed
US-20100210638-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-19 US disclosed
US-7659268-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-02-09 US disclosed
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-06-04 US disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2008-12-11 US disclosed
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 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-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 KMT2A 2078/4885KDM4E 2106/4885POLB 3778/4885
US-20140107157-A1 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS CNR1, CNR2, GPR119 KMT2A 4409/4885KDM4E 3512/4885POLB 4212/4885
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis CFTR, ABCC8, ABCB1 KMT2A 3156/4885KDM4E 1817/4885POLB 2585/4885
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KMT2A 3498/4885KDM4E 4026/4885POLB 2798/4885
US-20100210638-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4241/4885KDM4E 4156/4885POLB 2480/4885
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4241/4885KDM4E 4156/4885POLB 2480/4885
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4349/4885KDM4E 4192/4885POLB 2462/4885
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KMT2A 4241/4885KDM4E 4156/4885POLB 2480/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK KMT2A 1713/4885KDM4E 1791/4885POLB 2890/4885

“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.