SCHEMBL17402602

SCHEMBL17402602

Cc1ccc(Cc2cc3cc(-c4ccc(-c5ccc(S(C)(=O)=O)cc5)cc4)c(Cl)cc3[nH]2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.41
CNR1 P21554 2/20 0.41
PTGS1 P23219 1/20 0.36
SCD O00767 1/20 0.36
USP28 Q96RU2 1/20 0.35

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
SCHEMBL16069463 0.88 PRKAG1 (0.44) PTGS2CNR1USP28
SCHEMBL17391551 0.86 CNR1 (0.40) PTGS2CNR1USP28
SCHEMBL17402604 0.84 HAVCR2 (0.39)
SCHEMBL23967852 0.81 PRKAG1 (0.45)
SCHEMBL17402603 0.78 PRKAG1 (0.40) PTGS2CNR1
SCHEMBL17402613 0.78 PTGS2 (0.40) PTGS2CNR1PTGS1SCD
SCHEMBL16069446 0.78 PTGS2 (0.40) PTGS2CNR1SCD
SCHEMBL23967834 0.78 PTGS2 (0.47) PTGS2CNR1PTGS1SCD
SCHEMBL16069683 0.78 PRKAG1 (0.41)
SCHEMBL17402637 0.78 PRKAB2 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650375-B2 Indole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP. (US) 2017-05-16 US disclosed
US-20160002224-A1 NOVEL INDOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2016-01-07 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-20160002224-A1 NOVEL INDOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS GPR119, PRKAG2, PRKAG1 PTGS2 292/4885CNR1 1481/4885PTGS1 422/4885

“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.