SCHEMBL831558

SCHEMBL831558

Cc1cc(C)n(-c2ccc(S(=O)(=O)NC(=O)c3c(-c4ccc[nH]c4=O)c4cc(Cl)ccc4n3Cc3ccc(F)cc3F)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 2/20 0.40
ALDH1A1 P00352 1/20 0.36
PTGDR2 Q9Y5Y4 6/20 0.36
PPARG P37231 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGDR Q13258 1/20 0.34
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34
FLT1 P17948 2/20 0.33
FLT4 P35916 2/20 0.33
KDR P35968 2/20 0.33
KMT2A Q03164 1/20 0.33
BCL2L1 Q07817 1/20 0.33
BAK1 Q16611 1/20 0.33

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
SCHEMBL831790 0.86 CYP2C8 (0.39) CYP2C8PTGDR2PPARGFLT1FLT4
SCHEMBL862560 0.85 FLT1 (0.42) CYP2C8PTGDR2PPARGFLT1FLT4
SCHEMBL862166 0.85 CYP2C8 (0.42) CYP2C8PTGDR2PPARGFLT1FLT4
SCHEMBL831326 0.84 CYP2C8 (0.40) CYP2C8PTGDR2PPARGFLT1FLT4
SCHEMBL832081 0.84 CYP2C8 (0.44) CYP2C8ALDH1A1PTGDR2PPARGCYP1A2
SCHEMBL831900 0.84 CYP2C8 (0.38) CYP2C8PTGDR2PPARGBCL2MCL1
SCHEMBL10255303 0.83 CYP2C8 (0.39) CYP2C8ALDH1A1PTGDR2PPARGKMT2A
SCHEMBL832498 0.83 CYP2C8 (0.45) CYP2C8PTGDR2PPARGMCL1FLT1
SCHEMBL832044 0.83 CYP2C8 (0.41) CYP2C8PTGDR2PPARGMCL1KMT2A
SCHEMBL831896 0.82 CYP2C8 (0.41) CYP2C8ALDH1A1PTGDR2PPARGCYP1A2

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 847/4885ALDH1A1 1792/4885PTGDR2 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.