SCHEMBL13323926

SCHEMBL13323926

CSc1ccc(OC(C)(C(=O)NC2=NCC(Cl)S2)c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ PTGS2 P35354 2/20 0.32
▸ AKR1C3 P42330 1/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HCRTR1 O43613 2/20 0.30
▸ HCRTR2 O43614 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL13323726 0.90 POLB (0.44) POLBALDH1A1PTGS2CYP3A4CYP2C19
SCHEMBL13323727 0.85 POLB (0.36) POLBALDH1A1PTGS2HCRTR1HCRTR2
SCHEMBL13323570 0.79 GCK (0.38) PTGS2
SCHEMBL2656981 0.76 POLB (0.43) POLBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13323938 0.70 ALDH1A1 (0.43) POLBALDH1A1CYP3A4CYP2C19NPC1
SCHEMBL2656464 0.66 POLB (0.52) POLBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13323548 0.64 ALDH1A1 (0.40) POLBALDH1A1PTGS2CYP3A4CYP2C19
SCHEMBL2656118 0.64 GCK (0.56) POLBALDH1A1PTGS2NPC1RAB9A
SCHEMBL24065714 0.62 PTGS2 (0.54) ALDH1A1PTGS2AKR1C3SMN1; SMN2
SCHEMBL13323747 0.61 ALDH1A1 (0.42) POLBALDH1A1CYP3A4CYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144772-A1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-06-10 — — 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-20100144772-A1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION GCK, GCKR, GALK1 POLB 1940/4885ALDH1A1 924/4885PTGS2 797/4885

“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.

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