SCHEMBL96017

SCHEMBL96017

[CH2]c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.60
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 2/20 0.59
HPGD P15428 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HTT P42858 1/20 0.59
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
KIF11 P52732 4/20 0.55
PGR P06401 1/20 0.52
NR3C2 P08235 3/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
PTGS2 P35354 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL2451476 0.88 PGR (0.71) KEAP1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL12054668 0.87 KEAP1 (0.75) KEAP1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL1488031 0.81 KEAP1 (0.60) KEAP1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL4175815 0.80 HPGD (0.70) KEAP1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL31041151 0.80 KIF11 (0.79) KEAP1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL82733 0.78 CA1 (0.64) KEAP1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL522309 0.78 KEAP1 (0.62) KEAP1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL1488032 0.78 ALDH1A1 (0.68) KEAP1ALDH1A1SMN1; SMN2LMNAHPGD
Lithium SCHEMBL31041154 0.78 KIF11 (0.76) KEAP1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL7988528 0.77 HPGD (0.64) ALDH1A1SMN1; SMN2LMNAHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114727983-A Xanthine CB1 inhibitors 金翅雀生物公司 2022-07-08 CN claimed
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 EP claimed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 US claimed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US claimed
EP-2164833-A2 QUINAZOLINAMIDE DERIVATIVES Merck Patent GmbH (DE) 2010-03-24 EP claimed
WO-2009010139-A2 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2009-01-22 WO claimed
CN-101331133-A Sulphonamidoaniline derivatives as Janus kinase inhibitors NOVARTIS AG (CH) 2008-12-24 CN claimed
US-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors NOVARTIS AG (CH) 2008-10-23 US claimed
EP-1966210-A2 SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS Novartis AG (CH) 2008-09-10 EP claimed
WO-2007071393-A2 SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO claimed
US-6759428-B2 SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS ROCHE PALO ALTO LLC 2004-07-06 US claimed
US-20040077646-A1 Indole nitriles ROCHE PALO ALTO LLC 2004-04-22 US claimed
US-4975444-A INHIBITORS OF ANGIORENSIN-CONVERTING ENZYME AS WELL AS A ENDOPEPTIDASE; CARDIOTONIC AGENTS; GLAUCOMA; DIURETICS PFIZER INC. (US) 1990-12-04 US claimed
CN-114727983-A Xanthine CB1 inhibitors 金翅雀生物公司 2022-07-08 CN disclosed
US-10562921-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 US disclosed
CN-1088578-A 3 (2H)-pyridazinone derivatives and preparation method thereof EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1994-06-29 CN disclosed
EP-0602521-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1994-06-22 EP disclosed
CN-1053429-A INDOLE-SUBSTITUTED FIVE-MEMBERED HETEROAROMATIC COMPOUNDS MERCK SHARP & DOHME (GB) 1991-07-31 CN disclosed
US-4497815-A 1-(N-Substituted carbamoyl)-5-fluorouracil derivatives and the carcinostatic agents containing same as active ingredients Ozaki, Shoichiro (JP) 1985-02-05 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 (5 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-20040077646-A1 Indole nitriles TPH1, IDO1, NAT1 KEAP1 1751/4885ALDH1A1 535/4885SMN1; SMN2 1862/4885
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 KEAP1 923/4885ALDH1A1 585/4885SMN1; SMN2 442/4885
US-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors GRK4, JAK2, ALK KEAP1 3256/4885ALDH1A1 2994/4885SMN1; SMN2 3036/4885
US-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P KEAP1 880/4885ALDH1A1 1776/4885SMN1; SMN2 3148/4885
US-10562921-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 KEAP1 923/4885ALDH1A1 585/4885SMN1; SMN2 442/4885

“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.