SCHEMBL831319

SCHEMBL831319

CC(C)(C)c1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 2/20 0.40
EPHX2 P34913 1/20 0.37
PTGDR2 Q9Y5Y4 5/20 0.37
PPARG P37231 3/20 0.37
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
CYP3A4 P08684 2/20 0.35
SERPINE1 P05121 2/20 0.35
DNMT1 P26358 3/20 0.35
CYP1A2 P05177 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
KMT2A Q03164 1/20 0.34
SCN9A Q15858 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL831566 0.94 PPARG (0.43) CYP2C8PTGDR2PPARGSCN9A
SCHEMBL831502 0.94 CYP2C8 (0.40) CYP2C8PTGDR2PPARGPER2CRY1
SCHEMBL831693 0.92 CYP2C8 (0.42) CYP2C8EPHX2PPARGSERPINE1DNMT1
SCHEMBL831196 0.90 CYP2C8 (0.43) CYP2C8PTGDR2PPARGCYP3A4CYP1A2
SCHEMBL832081 0.89 CYP2C8 (0.44) CYP2C8PTGDR2PPARGCYP3A4CYP1A2
SCHEMBL832068 0.89 CYP2C8 (0.41) CYP2C8PTGDR2PPARGCYP3A4CYP1A2
SCHEMBL862601 0.89 EPHX2 (0.40) CYP2C8EPHX2PTGDR2PPARGCYP3A4
SCHEMBL10257269 0.88 CYP2C8 (0.40) CYP2C8PTGDR2PPARGCYP3A4CYP1A2
SCHEMBL12665277 0.88 CYP2C8 (0.51) CYP2C8PTGDR2PPARGCYP3A4SERPINE1
SCHEMBL862333 0.88 F2RL3 (0.45) CYP2C8PTGDR2PPARGCYP3A4SERPINE1

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 847/4885EPHX2 3119/4885PTGDR2 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.