SCHEMBL2404036

SCHEMBL2404036

CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1ccc(S(=O)(=O)CCCO)nc1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 12/20 0.79
NPSR1 Q6W5P4 3/20 0.38
SMO Q99835 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK14 Q16539 1/20 0.35
FPR1 P21462 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 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
SCHEMBL2403070 0.92 CCR1 (0.87) CCR1NPSR1SMOALDH1A1MAPK14
SCHEMBL1419964 0.89 CCR1 (0.77) CCR1NPSR1SMOALDH1A1MAPK14
SCHEMBL2398053 0.89 CCR1 (0.64) CCR1NPSR1SMOALDH1A1MAPK14
SCHEMBL12264382 0.88 CCR1 (1.00) CCR1NPSR1SMOALDH1A1MAPK14
SCHEMBL1419861 0.88 CCR1 (0.87) CCR1NPSR1SMOALDH1A1MAPK14
SCHEMBL2399453 0.88 CCR1 (1.00) CCR1NPSR1SMOALDH1A1MAPK14
SCHEMBL2398913 0.87 CCR1 (0.79) CCR1NPSR1SMOALDH1A1MAPK14
SCHEMBL2400026 0.87 CCR1 (0.84) CCR1NPSR1SMOALDH1A1MAPK14
SCHEMBL2454174 0.87 CCR1 (0.84) CCR1NPSR1SMOALDH1A1MAPK14
SCHEMBL2399714 0.86 CCR1 (0.82) CCR1NPSR1MAPK14MEN1NPC1

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 1/4885NPSR1 1800/4885SMO 3271/4885

“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.