SCHEMBL3465652

SCHEMBL3465652

NC(=O)C[CH]c1ccnc(S(N)(=O)=O)c1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
CA14 Q9ULX7 2/20 0.32
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
SCN10A Q9Y5Y9 3/20 0.31
CA6 P23280 2/20 0.31
CA7 P43166 2/20 0.31
CA13 Q8N1Q1 2/20 0.31
CA4 P22748 1/20 0.31
CA5A P35218 1/20 0.31
BRAF P15056 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL3466108 0.87 PARP1 (0.31)
SCHEMBL13358874 0.87 CA12 (0.31) CA12CA1CA2CA9CA14
SCHEMBL3465567 0.87 ALDH1A1 (0.32) ALDH1A1MAPK1
SCHEMBL3465986 0.85 ALDH1A1 (0.33) SCN10AALDH1A1
SCHEMBL13358898 0.83 KMT2A (0.36) ALDH1A1
SCHEMBL3466413 0.81 CA2 (0.34) CA12CA1CA2CA9CA14
SCHEMBL3465580 0.81 CA2 (0.34) CA12CA1CA2CA9CA14
SCHEMBL3465006 0.76 KDM1A (0.48) ALDH1A1MAPK1
SCHEMBL3465340 0.76 RECQL (0.41) ALDH1A1
SCHEMBL3465310 0.76 CCNC (0.40) ALDH1A1MAPK1

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 4 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
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 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 CA12 3019/4885CA1 1081/4885CA2 2686/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CA12 4373/4885CA1 2206/4885CA2 3968/4885

“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.