SCHEMBL2911278

SCHEMBL2911278

COC(=O)c1ccc(N)c(S(C)(=O)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.56
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 3/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
GLA P06280 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
ATM Q13315 1/20 0.56
PKM P14618 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.49
CDC25B P30305 1/20 0.49
USP2 O75604 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47

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
SCHEMBL9436677 0.87 KDM4E (0.67) VCAM1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1755052 0.87 KDM4E (0.56) VCAM1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21623272 0.87 ALDH1A1 (0.56) VCAM1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2913651 0.84 CA12 (0.50) VCAM1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2913645 0.84 KDM4E (0.53) VCAM1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8918126 0.83 CA12 (0.65) VCAM1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2904900 0.83 LMNA (0.54) ALDH1A1HPGDCDC25BCA12CA1
SCHEMBL17593784 0.81 ALDH1A1 (0.50) VCAM1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28740731 0.81 ALDH1A1 (0.49) VCAM1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1495428 0.81 VCAM1 (0.57) VCAM1KDM4EALDH1A1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325920-B1 N-SUBSTITUTED BENZOTHIOPHENESULFONAMIDE DERIVATIVES TOA EIYO LTD (JP) 2010-08-25 EP disclosed
EP-1486494-B1 N-SUBSTITUTED BENZOTHIOPHENESULFONAMIDE DERIVATIVE TOA EIYO LTD (JP) 2010-07-14 EP disclosed
US-7399781-B2 N-substituted benzothiophenesulfonamide derivatives TOA EIYO LTD. (JP) 2008-07-15 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed
US-7071220-B2 N-substituted benzothiophenesulfonamide derivatives TOA EIYO LTD. (JP) 2006-07-04 US disclosed
US-20060116408-A1 N-substituted benzothiophenesulfonamide derivatives TOA EIYO LTD. (JP) 2006-06-01 US disclosed
CN-1245400-C N-substituted benzothiophenesulfonamide derivatives TOA EIYO LTD (JP) 2006-03-15 CN disclosed
EP-1486494-A1 N-SUBSTITUTED BENZOTHIOPHENESULFONAMIDE DERIVATIVE TOA EIYO LTD. (JP) 2004-12-15 EP disclosed
US-20030229126-A1 N-substituted benzothiophenesulfonamide derivatives TOA EIYO LTD. 2003-12-11 US disclosed
EP-1325920-A1 N-SUBSTITUTED BENZOTHIOPHENESULFONAMIDE DERIVATIVES TOA EIYO LTD. (JP) 2003-07-09 EP disclosed
US-5292755-A USPA benzolyguanidines HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed
US-5091394-A BENZOYLGUANIDINES, A PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-25 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 (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-20060116408-A1 N-substituted benzothiophenesulfonamide derivatives ECE1, ECE2, CMA1 VCAM1 33/4885KDM4E 769/4885ALDH1A1 1585/4885
US-20030229126-A1 N-substituted benzothiophenesulfonamide derivatives ECE1, ECE2, CMA1 VCAM1 33/4885KDM4E 769/4885ALDH1A1 1585/4885

“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.