SCHEMBL832068

SCHEMBL832068

CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Br)ccc2n1Cc1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 2/20 0.41
PTGER1 P34995 1/20 0.40
PTGDR2 Q9Y5Y4 7/20 0.38
AKR1B1 P15121 2/20 0.36
AKR1B10 O60218 1/20 0.36
TBXA2R P21731 1/20 0.36
PPARG P37231 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGDR Q13258 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
CXCR2 P25025 1/20 0.34
AKR1A1 P14550 1/20 0.34

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
SCHEMBL831053 0.94 CYP2C8 (0.41) CYP2C8PTGER1PTGDR2AKR1B1AKR1B10
SCHEMBL831347 0.92 CYP2C8 (0.43) CYP2C8PTGDR2PPARGKMT2A
SCHEMBL831196 0.91 CYP2C8 (0.43) CYP2C8PTGER1PTGDR2PPARGCYP1A2
SCHEMBL862458 0.91 AKR1B1 (0.44) CYP2C8PTGDR2AKR1B1AKR1B10CYP1A2
SCHEMBL832081 0.90 CYP2C8 (0.44) CYP2C8PTGDR2PPARGCYP1A2CYP3A4
SCHEMBL10257269 0.90 CYP2C8 (0.40) CYP2C8PTGDR2PPARGCYP1A2CYP3A4
SCHEMBL831566 0.89 PPARG (0.43) CYP2C8PTGDR2PPARG
SCHEMBL831730 0.89 PPARG (0.43) CYP2C8PTGDR2PPARGMAPT
SCHEMBL831319 0.89 CYP2C8 (0.40) CYP2C8PTGDR2PPARGCYP1A2CYP3A4
SCHEMBL862564 0.89 CYP2C8 (0.36) CYP2C8PTGER1PTGDR2AKR1B1AKR1B10

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 CYP2C8 847/4885PTGER1 2797/4885PTGDR2 1609/4885

“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.