SCHEMBL831009

SCHEMBL831009

COCC1(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(C)ccc3n2Cc2ccccc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.35
PARG Q86W56 2/20 0.35
MAPT P10636 3/20 0.35
RXFP1 Q9HBX9 1/20 0.34
MGAM O43451 2/20 0.33
GAA P10253 2/20 0.33
SI P14410 2/20 0.33
MGAM2 Q2M2H8 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.32
ADAM17 P78536 1/20 0.32
ECE1 P42892 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL831901 0.91 CYP2C8 (0.38) CYP2C8KMT2AMEN1PARGECE1
SCHEMBL831179 0.89 CYP2C8 (0.46) CYP2C8KMT2AMEN1PARGMAPT
SCHEMBL831577 0.86 CYP2C8 (0.46) CYP2C8KMT2AMEN1MAPTRXFP1
SCHEMBL833144 0.85 CYP2C8 (0.45) CYP2C8KMT2AMEN1PARGMAPT
SCHEMBL831674 0.84 CYP2C8 (0.43) CYP2C8KMT2AMEN1PARGMAPT
SCHEMBL831986 0.84 CYP2C8 (0.38) CYP2C8KMT2AMEN1PARGMAPT
SCHEMBL832231 0.84 PPARG (0.38) CYP2C8PTGDR2
SCHEMBL831703 0.83 CYP2C8 (0.44) CYP2C8KMT2AMEN1PARGMAPT
SCHEMBL830600 0.83 CYP2C8 (0.39) CYP2C8KMT2AMEN1PARGMAPT
SCHEMBL831764 0.82 CYP2C8 (0.42) CYP2C8KMT2AMEN1PARGMAPT

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 847/4885KMT2A 321/4885MEN1 2084/4885

“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.