SCHEMBL830780

SCHEMBL830780

CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.44
CHEK1 O14757 1/20 0.40
CDK1 P06493 1/20 0.40
WEE1 P30291 1/20 0.40
KMT2A Q03164 3/20 0.40
CCR2 P41597 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
MALT1 Q9UDY8 1/20 0.38
PTGDR2 Q9Y5Y4 5/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
BCL2 P10415 1/20 0.36
BAK1 Q16611 1/20 0.36
PPARG P37231 1/20 0.36
POLB P06746 1/20 0.35
KRAS P01116 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
SCHEMBL10257353 0.93 CYP2C8 (0.43) CYP2C8CHEK1CDK1WEE1KMT2A
SCHEMBL831554 0.92 CYP2C8 (0.47) CYP2C8CHEK1CDK1WEE1KMT2A
SCHEMBL831532 0.92 CYP2C8 (0.47) CYP2C8CHEK1CDK1WEE1KMT2A
SCHEMBL10255371 0.92 CYP2C8 (0.43) CYP2C8CHEK1CDK1WEE1KMT2A
SCHEMBL831592 0.92 CYP2C8 (0.43) CYP2C8CHEK1CDK1WEE1KMT2A
SCHEMBL862051 0.92 CYP2C8 (0.43) CYP2C8CHEK1CDK1WEE1KMT2A
SCHEMBL10255740 0.92 CYP2C8 (0.43) CYP2C8CHEK1CDK1WEE1KMT2A
SCHEMBL831417 0.91 KMT2A (0.43) CYP2C8CHEK1CDK1WEE1KMT2A
SCHEMBL862750 0.91 CYP2C8 (0.42) CYP2C8CHEK1CDK1WEE1KMT2A
SCHEMBL832199 0.91 CYP2C8 (0.46) CYP2C8CHEK1CDK1WEE1KMT2A

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 847/4885CHEK1 3899/4885CDK1 2124/4885

“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.