SCHEMBL831903

SCHEMBL831903

Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.45
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.36
PPARG P37231 1/20 0.36
PTGDR2 Q9Y5Y4 5/20 0.36
CYP2C9 P11712 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4A O75164 1/20 0.35
LMNA P02545 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
SCHEMBL831523 0.94 CYP2C8 (0.43) CYP2C8KMT2AMEN1ALDH1A1USP2
SCHEMBL831181 0.93 CYP2C8 (0.43) CYP2C8KMT2AMEN1ALDH1A1USP2
SCHEMBL831577 0.92 CYP2C8 (0.46) CYP2C8KMT2AMEN1ALDH1A1TP53
SCHEMBL831532 0.92 CYP2C8 (0.47) CYP2C8KMT2AALDH1A1PTGDR2KDM4E
SCHEMBL861889 0.91 CYP2C8 (0.43) CYP2C8KMT2AMEN1ALDH1A1TP53
SCHEMBL831250 0.89 PPARG (0.45) CYP2C8KMT2APPARGPTGDR2SCN2B
SCHEMBL862538 0.88 CYP2C8 (0.44) CYP2C8KMT2AMEN1ALDH1A1USP2
SCHEMBL862209 0.88 CYP2C8 (0.44) CYP2C8KMT2AALDH1A1TP53PTGDR2
SCHEMBL862206 0.88 CYP2C8 (0.43) CYP2C8KMT2AMEN1ALDH1A1PPARG
SCHEMBL862540 0.88 CYP2C8 (0.40) CYP2C8KMT2AMEN1ALDH1A1USP2

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.