SCHEMBL2401593

SCHEMBL2401593

CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cncc(S(N)(=O)=O)c1

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.85
PTGS2 P35354 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
PTGS1 P23219 1/20 0.40
LOX P28300 1/20 0.40
MAPK14 Q16539 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
SMO Q99835 1/20 0.39
FPR1 P21462 1/20 0.38
CHRNA7 P36544 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
CA4 P22748 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL2402892 0.92 CCR1 (0.87) CCR1MAPK14NPSR1SMOFPR1
SCHEMBL1419706 0.92 CCR1 (1.00) CCR1MAPK14NPSR1SMOFPR1
SCHEMBL2401114 0.91 CCR1 (0.84) CCR1MAPK14NPSR1SMOFPR1
SCHEMBL2399558 0.91 CCR1 (0.84) CCR1MAPK14NPSR1SMOFPR1
SCHEMBL2401776 0.90 CCR1 (0.83) CCR1MAPK14NPSR1SMOFPR1
SCHEMBL2400491 0.88 CCR1 (0.80) CCR1MAPK14NPSR1SMOFPR1
SCHEMBL2402878 0.88 CCR1 (0.79) CCR1MAPK14NPSR1SMOFPR1
SCHEMBL1420232 0.88 CCR1 (0.79) CCR1MAPK14NPSR1SMOFPR1
SCHEMBL1420350 0.86 CCR1 (0.77) CCR1MAPK14NPSR1SMOFPR1
SCHEMBL1419808 0.86 CCR1 (0.80) CCR1PTGS2MAPK14NPSR1SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297112-B1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2013-04-03 EP disclosed
US-8293917-B2 Pyrazole compounds as CCR1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-8293917-B2 Pyrazole compounds as CCR1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
US-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
US-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
WO-2009137338-A1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-12 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-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists CCR1, CCR3, CCR4 CCR1 1/4885PTGS2 1645/4885CA1 1569/4885

“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.