SCHEMBL2905830

SCHEMBL2905830

CCCCOC(=O)CSC[C]=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ATM Q13315 2/20 0.41
FAAH O00519 1/20 0.41
DGKA P23743 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL2905500 0.89 ALDH1A1 (0.36) NAAAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL14353109 0.85 ALDH1A1 (0.54) NAAAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2913218 0.81 GAA (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL2815450 0.81 ALDH1A1 (0.50) NAAAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2133477 0.77 CES1 (0.43) NAAAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL14353367 0.77 NAAA (0.67) NAAAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL19812438 0.77 NAAA (0.67) NAAAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL19812459 0.77 NAAA (0.67) NAAAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL19812436 0.77 NAAA (0.67) NAAAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL14353318 0.77 NAAA (0.67) NAAAALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023194222-A1 INHIBITORS OF CHYMASE FOR USE IN THE SELECTIVE RESOLUTION OF THROMBI IN THROMBOTIC OR THROMBOEMBOLIC DISORDERS SOCPRA SCIENCES SANTÉ HUMAINES S.E.C. (CA) 2023-10-12 WO disclosed
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-20070032466-A1 Drug containing chymase inhibitor as the active ingredient TEIJIN PHARMA LIMITED (JP) 2007-02-08 US disclosed
US-7071220-B2 N-substituted benzothiophenesulfonamide derivatives TOA EIYO LTD. (JP) 2006-07-04 US disclosed
EP-1666067-A1 DRUG CONTAINING CHYMASE INHIBITOR AS THE ACTIVE INGREDIENT Teijin Pharma Limited (JP) 2006-06-07 EP 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 (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-20060116408-A1 N-substituted benzothiophenesulfonamide derivatives ECE1, ECE2, CMA1 NAAA 396/4885ALDH1A1 1585/4885CYP1A2 3621/4885
US-20030229126-A1 N-substituted benzothiophenesulfonamide derivatives ECE1, ECE2, CMA1 NAAA 396/4885ALDH1A1 1585/4885CYP1A2 3621/4885
US-20070032466-A1 Drug containing chymase inhibitor as the active ingredient REN, SERPINB1, CMA1 NAAA 363/4885ALDH1A1 1452/4885CYP1A2 4217/4885

“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.