SCHEMBL862277

SCHEMBL862277

Cc1cccc(Cn2c(C(=O)NS(C)(=O)=O)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
RCE1 Q9Y256 1/20 0.43
PPARG P37231 1/20 0.41
CYP2C8 P10632 1/20 0.40
MEN1 O00255 2/20 0.40
MCL1 Q07820 2/20 0.40
PTGDR2 Q9Y5Y4 6/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
MAPK8 P45983 1/20 0.37
PTGS1 P23219 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL862140 0.94 KMT2A (0.47) KMT2ARCE1PPARGCYP2C8MEN1
SCHEMBL862357 0.93 KMT2A (0.44) KMT2ARCE1PPARGCYP2C8MEN1
SCHEMBL862067 0.92 KMT2A (0.50) KMT2ARCE1PPARGCYP2C8MEN1
SCHEMBL10256439 0.92 KMT2A (0.42) KMT2ARCE1PPARGCYP2C8MEN1
SCHEMBL862037 0.92 KMT2A (0.44) KMT2ARCE1PPARGCYP2C8MEN1
SCHEMBL862200 0.91 KMT2A (0.42) KMT2ARCE1PPARGCYP2C8MEN1
SCHEMBL862125 0.91 KMT2A (0.42) KMT2ARCE1PPARGCYP2C8MEN1
SCHEMBL862541 0.91 KMT2A (0.42) KMT2ARCE1PPARGCYP2C8MEN1
SCHEMBL862254 0.90 KMT2A (0.41) KMT2ARCE1PPARGCYP2C8MEN1
SCHEMBL832125 0.90 KMT2A (0.45) KMT2ARCE1PPARGCYP2C8MEN1

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 KMT2A 321/4885RCE1 1745/4885PPARG 4093/4885

“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.