SCHEMBL862458

SCHEMBL862458

CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccc(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.44
AKR1A1 P14550 1/20 0.44
CYP2C8 P10632 1/20 0.43
CHRM5 P08912 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
OPRM1 P35372 2/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90B1 P14625 1/20 0.35
TRAP1 Q12931 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
AKR1B10 O60218 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL10257280 0.94 CYP2C8 (0.48) AKR1B1AKR1A1CYP2C8PTGDR2KMT2A
SCHEMBL832081 0.92 CYP2C8 (0.44) CYP2C8PTGDR2KMT2AKDM4EALDH1A1
SCHEMBL832068 0.91 CYP2C8 (0.41) AKR1B1AKR1A1CYP2C8PTGDR2KMT2A
SCHEMBL831554 0.90 CYP2C8 (0.47) CYP2C8PTGDR2KMT2AMAPTKDM4E
SCHEMBL862350 0.90 CYP2C8 (0.45) CYP2C8PTGDR2KMT2AMAPTKDM4E
SCHEMBL832199 0.90 CYP2C8 (0.46) CYP2C8PTGDR2KMT2AMAPTKDM4E
SCHEMBL862253 0.90 CYP2C8 (0.45) CYP2C8PTGDR2KMT2AMAPTKDM4E
SCHEMBL862324 0.90 KMT2A (0.42) CYP2C8PTGDR2KMT2AMAPTKDM4E
SCHEMBL831347 0.89 CYP2C8 (0.43) CYP2C8PTGDR2KMT2AKDM4EALDH1A1
SCHEMBL862102 0.89 CYP2C8 (0.42) AKR1B1AKR1A1CYP2C8PTGDR2KMT2A

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 AKR1B1 2027/4885AKR1A1 2483/4885CYP2C8 847/4885

“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.