SCHEMBL862413

SCHEMBL862413

CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(OC(F)(F)F)ccc2n1Cc1ccnc(N)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.43
SERPINE1 P05121 1/20 0.39
ABL1 P00519 1/20 0.37
SCN5A Q14524 2/20 0.36
SCN9A Q15858 2/20 0.36
F2RL3 Q96RI0 2/20 0.35
SCN7A Q01118 1/20 0.35
CYP2C8 P10632 1/20 0.35
TNIK Q9UKE5 1/20 0.34
MCL1 Q07820 1/20 0.33
MMP13 P45452 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL10257291 0.91 SERPINE1 (0.46) PPARGSERPINE1ABL1CYP2C8MCL1
SCHEMBL862477 0.91 PPARG (0.43) PPARGSERPINE1ABL1SCN5ASCN9A
SCHEMBL862701 0.91 PPARG (0.48) PPARGSERPINE1ABL1F2RL3MMP13
SCHEMBL10260727 0.89 PPARG (0.38) PPARGSERPINE1SCN9ACYP2C8MCL1
SCHEMBL12655595 0.89 SERPINE1 (0.44) SERPINE1ABL1F2RL3CYP2C8TNIK
SCHEMBL862469 0.88 PPARG (0.36) PPARGCYP2C8MCL1MEN1KMT2A
SCHEMBL831545 0.88 KMT2A (0.40) PPARGCYP2C8MCL1MEN1KMT2A
SCHEMBL862475 0.87 PPARG (0.36) PPARGSCN5ASCN9ACYP2C8MCL1
SCHEMBL10257730 0.86 PPARG (0.35) PPARGSERPINE1CYP2C8MCL1MEN1
SCHEMBL862036 0.86 PPARG (0.48) PPARGSERPINE1ABL1SCN5ASCN9A

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 2 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-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 PPARG 4093/4885SERPINE1 3846/4885ABL1 73/4885

“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.