SCHEMBL16069331

SCHEMBL16069331

CS(=O)(=O)c1ccc(-c2ccc(-c3cc4cc(CCCC(=O)O)[nH]c4cc3Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 3/20 0.47
PRKAA2 P54646 3/20 0.47
PRKAB1 Q9Y478 3/20 0.47
S1PR1 P21453 1/20 0.41
PTGS2 P35354 6/20 0.39
FFAR1 O14842 4/20 0.37
CNR1 P21554 1/20 0.37
SCD O00767 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
GPR17 Q13304 1/20 0.36

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
SCHEMBL16069441 0.97 PRKAG1 (0.47) PRKAG1PRKAA2PRKAB1S1PR1PTGS2
SCHEMBL16069446 0.89 PTGS2 (0.40) PRKAG1PRKAA2PRKAB1PTGS2CNR1
SCHEMBL16069373 0.88 PTGS2 (0.40) PRKAG1PRKAA2PRKAB1PTGS2CNR1
SCHEMBL17402613 0.87 PTGS2 (0.40) PRKAG1PRKAA2PRKAB1PTGS2CNR1
SCHEMBL23967839 0.84 PRKAG1 (0.48) PRKAG1PRKAA2PRKAB1S1PR1FFAR1
SCHEMBL16069390 0.82 PRKAG1 (0.46) PRKAG1PRKAA2PRKAB1S1PR1PTGS2
SCHEMBL23967847 0.81 PRKAG1 (0.47) PRKAG1PRKAA2PRKAB1S1PR1FFAR1
SCHEMBL16069385 0.79 PRKAG1 (0.45) PRKAG1PRKAA2PRKAB1S1PR1PTGS2
SCHEMBL16069463 0.77 PRKAG1 (0.44) PRKAG1PRKAA2PRKAB1PTGS2CNR1
SCHEMBL17391613 0.76 CNR1 (0.38) PTGS2CNR1SCD

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-2970119-B1 NOVEL INDOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2021-11-03 EP disclosed
US-9650375-B2 Indole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP. (US) 2017-05-16 US disclosed
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
US-20160002224-A1 NOVEL INDOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2016-01-07 US disclosed
WO-2014139388-A1 NOVEL INDOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 WO 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 PRKAG1 3/4885PRKAA2 9/4885PRKAB1 11/4885

“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.