SCHEMBL1033716

SCHEMBL1033716

CC(C)(C)OC(=O)NC(CCn1cccn1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.42
PPARG P37231 4/20 0.42
CTSK P43235 8/20 0.41
CTSS P25774 4/20 0.41
ACE P12821 1/20 0.41
ITGA4 P13612 2/20 0.41
ITGB7 P26010 2/20 0.41
PPARD Q03181 2/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
IDO1 P14902 1/20 0.39
SCN9A Q15858 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
SCHEMBL28853919 1.00 PPARA (0.42) PPARAPPARGCTSKCTSSACE
SCHEMBL1036308 0.89 CTSK (0.38) CTSKCTSSITGA4ITGB7SCN9A
SCHEMBL10246509 0.87 PPARA (0.44) PPARAPPARGCTSKCTSSACE
SCHEMBL606575 0.87 PPARA (0.44) PPARAPPARGCTSKCTSSACE
SCHEMBL6739624 0.87 PPARA (0.44) PPARAPPARGCTSKCTSSACE
SCHEMBL1076536 0.82 ITGA4 (0.46) PPARAPPARGCTSKCTSSACE
SCHEMBL31758007 0.80 PCSK9 (0.45)
SCHEMBL20263054 0.79 NLRP3 (0.41) CTSKCTSS
SCHEMBL20263052 0.79 NLRP3 (0.41) CTSKCTSS
SCHEMBL23860005 0.78 TBXAS1 (0.46) PPARAPPARG

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 PPARA 770/4885PPARG 896/4885CTSK 4292/4885

“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.