SCHEMBL831053

SCHEMBL831053

CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Br)ccc2n1Cc1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.41
PTGER1 P34995 1/20 0.35
PTGDR2 Q9Y5Y4 5/20 0.35
KMT2A Q03164 2/20 0.35
PPARG P37231 1/20 0.34
SCN9A Q15858 2/20 0.34
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 1/20 0.33
CXCR2 P25025 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
DHODH Q02127 1/20 0.33
MAPK8 P45983 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL832068 0.94 CYP2C8 (0.41) CYP2C8PTGER1PTGDR2KMT2APPARG
SCHEMBL832484 0.93 CYP2C8 (0.40) CYP2C8PTGDR2KMT2ABRD4BRD2
SCHEMBL831347 0.92 CYP2C8 (0.43) CYP2C8PTGDR2KMT2APPARGSCN9A
SCHEMBL831268 0.91 CYP2C8 (0.45) CYP2C8PTGDR2KMT2APPARGSCN9A
SCHEMBL831198 0.91 CYP2C8 (0.43) CYP2C8PTGDR2KMT2APPARGSCN9A
SCHEMBL862182 0.90 CYP2C8 (0.40) CYP2C8PTGDR2KMT2APPARGSCN9A
SCHEMBL831502 0.89 CYP2C8 (0.40) CYP2C8PTGDR2KMT2APPARGSCN9A
SCHEMBL862217 0.89 PPARG (0.43) CYP2C8PTGDR2PPARGSCN9A
SCHEMBL832029 0.89 PPARG (0.43) CYP2C8PTGDR2PPARGSCN9A
SCHEMBL830778 0.88 CYP2C8 (0.54) CYP2C8PTGDR2KMT2APPARGSCN9A

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 847/4885PTGER1 2797/4885PTGDR2 1609/4885

“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.