SCHEMBL3528197

SCHEMBL3528197

CS(=O)(=O)Nc1cc(C(=O)O)c(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.44
MCL1 Q07820 1/20 0.41
FABP4 P15090 3/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
NEU3 Q9UQ49 1/20 0.40
SCN9A Q15858 2/20 0.39
PYGL P06737 1/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CISD1 Q9NZ45 1/20 0.38

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
SCHEMBL13687162 0.88 MAPT (0.43) MAPTSCN9AKMT2AKDM4EMEN1
SCHEMBL3524955 0.88 CCR2 (0.44) CCR2MCL1FABP4MAPTLMNA
SCHEMBL3527949 0.85 FABP4 (0.52) CCR2MCL1FABP4NEU3KMT2A
SCHEMBL3522884 0.85 HSD17B10 (0.51) MAPTSCN9AKMT2AKDM4EMEN1
SCHEMBL13687249 0.85 SCN9A (0.43) MAPTSCN9AKMT2AKDM4EMEN1
SCHEMBL13748153 0.84 SCN9A (0.39) MAPTSCN9AKMT2AKDM4EMEN1
SCHEMBL13687087 0.84 TRPV1 (0.40) MAPTLMNASCN9AKMT2AKDM4E
SCHEMBL13719900 0.84 POLB (0.40) MAPTSCN9AKMT2AKDM4EMEN1
SCHEMBL13687199 0.81 KDM4E (0.44) MAPTSCN9AKDM4EALDH1A1
SCHEMBL15313149 0.81 SLC6A2 (0.45) CCR2MCL1MAPTLMNASLC6A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
CN-1744899-A Piperidine derivatives as CCR5 antagonists SMITHKLINE BEECHAM CORP (US) 2006-03-08 CN disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO 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-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 CCR2 4/4885MCL1 1546/4885FABP4 4325/4885

“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.