SCHEMBL94461

SCHEMBL94461

[CH2]c1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 9/20 0.48
AVPR2 P30518 1/20 0.47
GPR27 Q9NS67 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CYP3A4 P08684 1/20 0.45
PPARG P37231 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
NLRP1 Q9C000 1/20 0.44
ITGA1 P56199 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MCL1 Q07820 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
SCHEMBL94831 0.81 MAPT (0.63) CYP3A4PPARGMEN1LMNAMAPT
SCHEMBL95834 0.78 BRD4 (0.51) CA1CA2MEN1LMNAMAPT
SCHEMBL13615230 0.77 SLC22A12 (0.48) SLC22A12PPARGPIK3C3
SCHEMBL13629428 0.77 SLC22A12 (0.48) SLC22A12PPARGLMNAPIK3C3
SCHEMBL13615237 0.76 SLC22A12 (0.47) SLC22A12PPARG
SCHEMBL13629466 0.76 BRPF1 (0.46) SLC22A12CYP3A4PPARGPIK3C3
SCHEMBL96241 0.76 KDM1A (0.64) CA1CA2MEN1MAPTKMT2A
SCHEMBL95007 0.74 PGR (0.67) MAPT
SCHEMBL96292 0.74 PGR (0.65) SLC22A12MEN1LMNAMAPTKMT2A
SCHEMBL96080 0.74 ATM (0.53) MAPTITGA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB SLC22A12 3575/4885AVPR2 4075/4885GPR27 3180/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SLC22A12 2298/4885AVPR2 489/4885GPR27 1457/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SLC22A12 2298/4885AVPR2 489/4885GPR27 1457/4885

“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.