SCHEMBL2401774

SCHEMBL2401774

CCCC(NC(=O)c1cnn(-c2ccc(F)cc2F)c1C)c1cncc(S(C)(=O)=O)c1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.70
CYP3A4 P08684 1/20 0.41
SPR P35270 1/20 0.38
MAPK1 P28482 4/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
ROCK2 O75116 2/20 0.36

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
SCHEMBL2401092 0.86 CCR1 (0.81) CCR1CYP3A4
SCHEMBL2397743 0.85 CCR1 (0.68) CCR1CYP3A4SPRMAPK1ALDH1A1
SCHEMBL2399407 0.84 CCR1 (0.88) CCR1CYP3A4POLBROCK2
SCHEMBL2400289 0.84 CCR1 (0.80) CCR1CYP3A4ALDH1A1
SCHEMBL1419810 0.84 CCR1 (0.83) CCR1CYP3A4ALDH1A1
SCHEMBL2402834 0.84 CCR1 (0.87) CCR1CYP3A4POLB
SCHEMBL2398922 0.82 CCR1 (0.84) CCR1CYP3A4POLB
SCHEMBL1419706 0.82 CCR1 (1.00) CCR1CYP3A4ALDH1A1
SCHEMBL2399146 0.81 CCR1 (0.84) CCR1CYP3A4POLB
SCHEMBL2402003 0.81 CCR1 (0.84) CCR1POLB

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 1100/4885SPR 2389/4885

“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.