SCHEMBL1738692

SCHEMBL1738692

CS(=O)(=O)c1ccc(CCBr)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.46
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CA2 P00918 4/20 0.44
PTGS2 P35354 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
BMP1 P13497 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL16443971 0.88 CA2 (0.47) ENPP2KCNJ1KCNH2CA2PTGS2
SCHEMBL240747 0.82 ENPP2 (0.50) ENPP2KCNJ1KCNH2CA2PTGS2
SCHEMBL8083823 0.82 HTR6 (0.53) KCNH2TDP1CA2SMN1; SMN2CA12
SCHEMBL6793165 0.80 CA2 (0.67) ENPP2KCNJ1KCNH2CA2PTGS2
SCHEMBL10885810 0.79 ALDH1A1 (0.45) TDP1CA2SMN1; SMN2CA1MEN1
SCHEMBL1919298 0.78 CA2 (0.67) CA2SMN1; SMN2CA12CA1CA4
SCHEMBL7772184 0.78 F2 (0.64) TDP1CA2SMN1; SMN2CA12CA1
SCHEMBL314445 0.78 LMNA (0.48) TDP1CA2SMN1; SMN2CA12CA1
SCHEMBL17044643 0.78 TDP1 (0.44) TDP1CA2SMN1; SMN2CA12CA1
SCHEMBL313925 0.78 ALDH1A1 (0.44) TDP1CA2SMN1; SMN2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766366-B1 TETRAHYDROTRIAZOLOPYRIMIDINE DERIVATIVES AS HUMAN NEUTROPHIL ELASTASE INHBITORS CHIESI FARMA SPA (IT) 2016-11-09 EP disclosed
CN-103827117-B Tetrahydrochysene triazolopyrimidine derivative as people's inhibitors of neutrophil elastase 奇斯药制品公司 2016-08-24 CN disclosed
CN-102197038-B Substituted tricyclic acid derivatives as S1P1 receptor agonists for the treatment of autoimmune and inflammatory disorders ARENA PHARMACEUTICALS, INC. (US) 2016-04-20 CN disclosed
CN-103732589-B Can be used as the sulphonamide of the replacement of anti-apoptotic BCL inhibitor BRISTOL-MYERS SQUIBB CO. (US) 2016-03-30 CN disclosed
CN-105392787-A Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN LA ROCHE 2016-03-09 CN disclosed
CN-102884047-B 2-pyridone compounds NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-11-25 CN disclosed
CN-104870422-A Novel amine derivative or salt thereof TOYAMA CHEMICAL CO LTD 2015-08-26 CN disclosed
US-9023855-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-05 US disclosed
CN-104311472-A Substituted 1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid derivatives ARENA PHARM INC 2015-01-28 CN disclosed
CN-102164891-B Substituted 1,2,3, 4-tetrahydrocyclopenta [ b ] indol-3-yl acetic acid derivatives useful for the treatment of autoimmune and inflammatory diseases ARENA PHARM INC 2014-09-03 CN disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP disclosed
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 CN disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP disclosed
EP-0259782-A1 Naphthalene and indane derivatives, medicaments containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1988-03-16 EP 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 (2 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-20020019531-A1 Indoles INMT, MUSK, MB ENPP2 2717/4885KCNJ1 1556/4885KCNH2 432/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 ENPP2 2664/4885KCNJ1 1050/4885KCNH2 309/4885

“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.