SCHEMBL10255437

SCHEMBL10255437

O=C1COc2ccc(S(=O)(=O)NC(=O)c3c(-c4ccc[nH]c4=O)c4cc(C(F)(F)F)ccc4n3Cc3ccccc3F)cc2N1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.40
PKM P14618 3/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.38
PPARG P37231 3/20 0.37
TRPV1 Q8NER1 4/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
BRAF P15056 1/20 0.35
PARG Q86W56 1/20 0.35

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
SCHEMBL831765 0.91 PPARG (0.39) MAPK1KMT2APPARGSMN1; SMN2PARG
SCHEMBL831676 0.83 PPARG (0.45) KMT2APPARG
SCHEMBL831215 0.83 PPARG (0.39) KMT2APPARG
SCHEMBL832430 0.83 PPARG (0.45) KMT2APPARG
SCHEMBL831306 0.81 PPARG (0.40) KMT2APPARG
SCHEMBL831415 0.81 PPARG (0.46) KMT2APPARGKDM4E
SCHEMBL832197 0.81 KMT2A (0.38) KMT2APPARGKDM4EALDH1A1
SCHEMBL831858 0.81 PPARG (0.46) PPARG
SCHEMBL862442 0.81 PPARG (0.45) KMT2APPARG
SCHEMBL830972 0.81 CYP2C8 (0.42) MAPK1KMT2APPARGKDM4EALDH1A1

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 RAF1 4226/4885PKM 4206/4885MAPK1 4340/4885

“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.