SCHEMBL3465680

SCHEMBL3465680

CCCC(N)c1cncc(S(N)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.45
CA2 P00918 16/20 0.41
CA1 P00915 13/20 0.38
CCR1 P32246 1/20 0.35
CA7 P43166 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 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
SCHEMBL3465207 1.00 APLNR (0.45) APLNRCA2CA1CCR1CA7
SCHEMBL2398918 0.88 CCR1 (0.43) APLNRCA2CA1CCR1
SCHEMBL3466773 0.88 CCR1 (0.43) APLNRCA2CA1CCR1
SCHEMBL13358893 0.88 CA2 (0.35) APLNRCA2CA1CCR1
SCHEMBL3465380 0.87 APLNR (0.47) APLNRCA2CA1CA7CA14
Hydrochloric Acid SCHEMBL2398909 0.86 CCR1 (0.43) APLNRCA2CCR1
SCHEMBL14813131 0.85 CA2 (0.34) CA2CCR1CA12CA9
SCHEMBL13358937 0.84 PIK3C3 (0.35) CA2CCR1
SCHEMBL3465745 0.84 TNNI3K (0.39) CA2CA1CCR1CA7CA14
SCHEMBL3465454 0.84 TNNI3K (0.39) CA2CA1CCR1CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
EP-2297112-B1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2013-04-03 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-8293917-B2 Pyrazole compounds as CCR1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US 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 (2 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 APLNR 2127/4885CA2 2686/4885CA1 1081/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 APLNR 2724/4885CA2 3968/4885CA1 2206/4885

“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.