SCHEMBL1034211

SCHEMBL1034211

CCOC(=O)/C=C/c1cnccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.56
CDK8 P49336 6/20 0.56
CDK19 Q9BWU1 1/20 0.52
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
TTR P02766 1/20 0.46
DPP4 P27487 1/20 0.46
ESR1 P03372 1/20 0.45
MAOB P27338 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP3A4 P08684 2/20 0.43
FDPS P14324 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
P2RY12 Q9H244 1/20 0.39
HSD17B1 P14061 1/20 0.39

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
SCHEMBL1034213 1.00 CCNC (0.56) CCNCCDK8CDK19CA12CA1
SCHEMBL30034808 0.88 CCNC (0.59) CCNCCDK8CDK19CA12CA1
SCHEMBL8264801 0.85 CCNC (0.54) CCNCCDK8CDK19CA12CA1
SCHEMBL17346861 0.85 CCNC (0.54) CCNCCDK8CDK19CA12CA1
SCHEMBL7260322 0.84 CCNC (0.52) CCNCCDK8CA12CA1CA2
SCHEMBL23599087 0.82 CCNC (0.60) CCNCCDK8CDK19CA12CA1
SCHEMBL7919914 0.82 CCNC (0.57) CCNCCDK8CDK19CA12CA1
SCHEMBL21633391 0.82 CCNC (0.57) CCNCCDK8CDK19CA12CA1
SCHEMBL21633393 0.82 CCNC (0.57) CCNCCDK8CDK19CA12CA1
SCHEMBL16808584 0.82 CCNC (0.57) CCNCCDK8CDK19CA12CA1

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
US-8586748-B2 2-sulfonylamino-4-heteroaryl butyramide antagonists of CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 US disclosed
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
EP-2276731-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 Boehringer Ingelheim International GmbH (DE) 2011-01-26 EP disclosed
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 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-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 CCR10, CCR1, CCR4 CCNC 3005/4885CDK8 1423/4885CDK19 1810/4885

“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.