SCHEMBL830993

SCHEMBL830993

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 2/20 0.39
PPARG P37231 3/20 0.37
PER2 O15055 1/20 0.37
F2RL3 Q96RI0 2/20 0.37
PTGDR2 Q9Y5Y4 7/20 0.36
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGDR Q13258 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGER1 P34995 1/20 0.33
SCN9A Q15858 3/20 0.33
SCN5A Q14524 1/20 0.32
CPT1A P50416 1/20 0.32
CPT1B Q92523 1/20 0.32

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
SCHEMBL862333 0.92 F2RL3 (0.45) CYP2C8PPARGF2RL3PTGDR2CYP1A2
SCHEMBL831730 0.92 PPARG (0.43) CYP2C8PPARGF2RL3PTGDR2
SCHEMBL831825 0.91 CYP2C8 (0.39) CYP2C8PPARGPER2F2RL3PTGDR2
SCHEMBL831770 0.90 PPARG (0.46) CYP2C8PPARGF2RL3PTGDR2
SCHEMBL862496 0.89 PPARG (0.38) CYP2C8PPARGPER2F2RL3PTGDR2
SCHEMBL831196 0.88 CYP2C8 (0.43) CYP2C8PPARGPTGDR2CYP1A2CYP3A4
SCHEMBL832081 0.88 CYP2C8 (0.44) CYP2C8PPARGPTGDR2CYP1A2CYP3A4
SCHEMBL832068 0.88 CYP2C8 (0.41) CYP2C8PPARGPTGDR2CYP1A2CYP3A4
SCHEMBL12665313 0.87 CYP2C8 (0.48) CYP2C8PER2F2RL3PTGDR2CYP1A2
SCHEMBL10257269 0.87 CYP2C8 (0.40) CYP2C8PPARGPTGDR2CYP1A2CYP3A4

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 847/4885PPARG 4093/4885PER2 98/4885

“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.