SCHEMBL5178307

SCHEMBL5178307

Cc1cccc2scc(O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CTSG P08311 2/20 0.37
CMA1 P23946 2/20 0.37
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
MAPT P10636 2/20 0.34
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 1/20 0.33
G6PD P11413 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL28481670 0.83 TRPA1 (0.41) TRPA1ATMALDH1A1CTSGCMA1
SCHEMBL8404359 0.80 CTSG (0.37) TRPA1ATMALDH1A1CTSGCMA1
SCHEMBL6327715 0.77 ALDH1A1 (0.41) ALDH1A1CTSGCMA1CYP2D6CYP2C19
SCHEMBL28388316 0.75 SMN1; SMN2 (0.36) ALDH1A1HSD17B1HSD17B2MAPTKDM4E
SCHEMBL4298612 0.75 CTSG (0.37) ALDH1A1CTSGCMA1PTGS1PTGS2
SCHEMBL23980164 0.75 ACHE (0.39) ALDH1A1CTSGCMA1MAPTCYP1A2
SCHEMBL17140136 0.75 CTSG (0.35) ALDH1A1CTSGCMA1MAPTCYP1A2
SCHEMBL2314303 0.75 CYP2A6 (0.53) ALDH1A1CTSGCMA1CYP2D6CYP2C19
SCHEMBL4429297 0.74 MAPT (0.34) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL4295213 0.73 KDM4E (0.47) TRPA1ALDH1A1CTSGCMA1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362854-B1 Benzo[b[thiophene derivatives and process for producing the same TEIJIN PHARMA LTD (JP) 2007-10-31 EP disclosed
EP-1792614-A1 Benzo[b]thiophene derivatives Teijin Pharma Limited (JP) 2007-06-06 EP disclosed
US-6884896-B2 Benzo[b]thiophene derivatives and process for preparing the same TEIJIN LIMITED (JP) 2005-04-26 US disclosed
EP-1362854-A1 BENZO b]THIOPHENE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 2003-11-19 EP disclosed
US-20030176490-A1 Benzo(b)thiophene derivatives and process for producing the same TEIJIN PHARMA LIMITED (JP) 2003-09-18 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 (1 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-20030176490-A1 Benzo(b)thiophene derivatives and process for producing the same CYP4B1, CYP1B1, CYP3A4 TRPA1 1923/4885ATM 2946/4885ALDH1A1 158/4885

“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.