SCHEMBL2913645

SCHEMBL2913645

CCS(=O)(=O)c1cc(C(=O)OC)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
HPGD P15428 5/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 4/20 0.53
GAA P10253 3/20 0.53
HSD17B10 Q99714 3/20 0.53
GLA P06280 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
ATM Q13315 1/20 0.53
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
CDC25B P30305 1/20 0.46
ERAP2 Q6P179 2/20 0.46
LNPEP Q9UIQ6 2/20 0.46
USP2 O75604 1/20 0.46
CA12 O43570 1/20 0.45

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
SCHEMBL21623272 0.84 ALDH1A1 (0.56) KDM4EHPGDALDH1A1MAPTGAA
SCHEMBL2911278 0.84 VCAM1 (0.56) KDM4EHPGDALDH1A1MAPTGAA
SCHEMBL1755052 0.84 KDM4E (0.56) KDM4EHPGDALDH1A1MAPTGAA
SCHEMBL17593784 0.79 ALDH1A1 (0.50) KDM4EHPGDALDH1A1MAPTGAA
SCHEMBL4034491 0.77 MAPT (0.59) KDM4EHPGDALDH1A1MAPTGAA
SCHEMBL29375113 0.76 KDM4E (0.72) KDM4EHPGDALDH1A1MAPTGAA
SCHEMBL192100 0.76 KDM4E (0.72) KDM4EHPGDALDH1A1MAPTGAA
SCHEMBL12693538 0.75 KDM4E (0.66) KDM4EHPGDALDH1A1MAPTGAA
Hydrochloric Acid SCHEMBL7251305 0.74 KDM4E (0.70) KDM4EHPGDALDH1A1MAPTGAA
Hydrochloric Acid SCHEMBL1223871 0.74 KDM4E (0.70) KDM4EHPGDALDH1A1MAPTGAA

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 6 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
US-7399781-B2 N-substituted benzothiophenesulfonamide derivatives TOA EIYO LTD. (JP) 2008-07-15 US 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
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

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 KDM4E 769/4885HPGD 1324/4885ALDH1A1 1585/4885
US-20030229126-A1 N-substituted benzothiophenesulfonamide derivatives ECE1, ECE2, CMA1 KDM4E 769/4885HPGD 1324/4885ALDH1A1 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.