SCHEMBL2399407

SCHEMBL2399407

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

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 12/20 0.88
CYP3A4 P08684 1/20 0.42
FPR1 P21462 3/20 0.42
MAPK14 Q16539 1/20 0.41
ROCK2 O75116 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL2402834 0.95 CCR1 (0.87) CCR1CYP3A4FPR1MAPK14NPC1
SCHEMBL2398922 0.94 CCR1 (0.84) CCR1CYP3A4FPR1MAPK14NPC1
SCHEMBL1419706 0.94 CCR1 (1.00) CCR1CYP3A4FPR1MAPK14
SCHEMBL2399146 0.90 CCR1 (0.84) CCR1CYP3A4FPR1MAPK14NPC1
SCHEMBL2401092 0.90 CCR1 (0.81) CCR1CYP3A4FPR1MAPK14NPC1
SCHEMBL2402003 0.89 CCR1 (0.84) CCR1FPR1MAPK14NPC1RAB9A
SCHEMBL1419810 0.88 CCR1 (0.83) CCR1CYP3A4FPR1NPC1RAB9A
SCHEMBL2400289 0.88 CCR1 (0.80) CCR1CYP3A4FPR1NPC1RAB9A
SCHEMBL2402892 0.86 CCR1 (0.87) CCR1CYP3A4FPR1MAPK14
SCHEMBL2401593 0.86 CCR1 (0.85) CCR1FPR1MAPK14

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 1/4885CYP3A4 1100/4885FPR1 18/4885

“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.