SCHEMBL831896

SCHEMBL831896

Cc1ccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccc(F)cc2F)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 2/20 0.41
PTGDR2 Q9Y5Y4 8/20 0.36
KMT2A Q03164 4/20 0.34
PPARG P37231 1/20 0.34
CYP1A2 P05177 2/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 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
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PDPK1 O15530 1/20 0.32
MEN1 O00255 1/20 0.32
AKR1A1 P14550 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
SCHEMBL832287 0.93 CYP2C8 (0.39) CYP2C8PTGDR2KMT2APPARGPDPK1
SCHEMBL832081 0.87 CYP2C8 (0.44) CYP2C8PTGDR2KMT2APPARGCYP1A2
SCHEMBL831326 0.85 CYP2C8 (0.40) CYP2C8PTGDR2KMT2APPARG
SCHEMBL832695 0.85 PPARG (0.43) CYP2C8PTGDR2PPARG
SCHEMBL862444 0.83 CYP2C8 (0.40) CYP2C8PTGDR2KMT2ABCL2BCL2L1
SCHEMBL10257280 0.83 CYP2C8 (0.48) CYP2C8PTGDR2KMT2APPARGCYP1A2
SCHEMBL862901 0.83 CYP2C8 (0.39) CYP2C8PTGDR2KMT2APPARGALDH1A1
SCHEMBL831790 0.83 CYP2C8 (0.39) CYP2C8PTGDR2PPARGBCL2L1
SCHEMBL10255303 0.83 CYP2C8 (0.39) CYP2C8PTGDR2KMT2APPARGKDM4E
SCHEMBL831558 0.82 CYP2C8 (0.40) CYP2C8PTGDR2KMT2APPARGCYP1A2

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 847/4885PTGDR2 1609/4885KMT2A 321/4885

“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.