SCHEMBL831730

SCHEMBL831730

COc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.43
CYP2C8 P10632 1/20 0.40
F2RL3 Q96RI0 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.37
KCNK3 O14649 1/20 0.36
KCNK5 O95279 1/20 0.36
KCNA5 P22460 1/20 0.36
KCNK17 Q96T54 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
EDNRB P24530 1/20 0.36
TP53 P04637 4/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
MAPT P10636 1/20 0.35
HTR6 P50406 1/20 0.35
POLB P06746 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
SCHEMBL862217 0.94 PPARG (0.43) PPARGCYP2C8PTGDR2EDNRBTP53
SCHEMBL830993 0.92 CYP2C8 (0.39) PPARGCYP2C8F2RL3PTGDR2
SCHEMBL862333 0.92 F2RL3 (0.45) PPARGCYP2C8F2RL3PTGDR2KCNK3
SCHEMBL831825 0.92 CYP2C8 (0.39) PPARGCYP2C8F2RL3PTGDR2EDNRB
SCHEMBL10261596 0.92 PPARG (0.46) PPARGCYP2C8PTGDR2EDNRBTP53
SCHEMBL831196 0.90 CYP2C8 (0.43) PPARGCYP2C8PTGDR2
SCHEMBL832081 0.89 CYP2C8 (0.44) PPARGCYP2C8PTGDR2
SCHEMBL832068 0.89 CYP2C8 (0.41) PPARGCYP2C8PTGDR2MAPT
SCHEMBL862899 0.89 PPARG (0.42) PPARGCYP2C8F2RL3EDNRBHTR6
SCHEMBL831658 0.89 PPARG (0.48) PPARGF2RL3KCNK3KCNK5KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 PPARG 4093/4885CYP2C8 847/4885F2RL3 1782/4885

“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.