SCHEMBL1036742

SCHEMBL1036742

CC(C)(C)OC(=O)NC(CCn1cccc1C#N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.47
CTSK P43235 12/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CCR10 P46092 2/20 0.45
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
PTPN1 P18031 1/20 0.43
ACE P12821 1/20 0.43

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
SCHEMBL1035629 0.90 CTSS (0.44) CTSSCTSKCTSLCTSBCCR10
SCHEMBL1082714 0.82 CCR10 (0.64) CCR10
SCHEMBL15496837 0.73 P2RX3 (0.43) CTSSCTSKPPARAPPARGPTPN1
SCHEMBL23860001 0.73 ARG1 (0.49) PPARAPPARGPTPN1ACE
SCHEMBL1082633 0.73 PPARA (0.42) CCR10PPARAPPARGPTPN1ACE
SCHEMBL23860004 0.73 ARG1 (0.49) PPARAPPARGPTPN1ACE
SCHEMBL15496828 0.72 PPARA (0.43) CTSSCTSKPPARAPPARGPTPN1
SCHEMBL31649054 0.72 AKT1 (0.49) CTSSCTSKCTSLCTSBPPARA
SCHEMBL21663695 0.72 CTSS (0.63) CTSSCTSKCTSLCTSBPPARA
SCHEMBL28538006 0.72 AKT1 (0.49) CTSSCTSKCTSLCTSBPPARA

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 CTSS 3867/4885CTSK 4292/4885CTSL 3459/4885

“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.