SCHEMBL1336085

SCHEMBL1336085

CC(C)(C)OC(=O)NC(CCc1cccc(C#N)c1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.61
CTSK P43235 12/20 0.61
CTSB P07858 4/20 0.52
CTSL P07711 2/20 0.52
ACE P12821 1/20 0.50
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
PTPN1 P18031 1/20 0.47
FOLH1 Q04609 1/20 0.46

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
SCHEMBL29907936 0.89 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL3748888 0.89 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL3748882 0.89 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL5067241 0.89 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL10795527 0.86 CTSS (0.52) CTSSCTSKCTSBCTSLFOLH1
SCHEMBL21663695 0.86 CTSS (0.63) CTSSCTSKCTSBCTSLPPARA
SCHEMBL12305798 0.84 CTSK (0.57) CTSSCTSKCTSBCTSLACE
SCHEMBL21409100 0.84 CTSK (0.57) CTSSCTSKCTSBCTSLACE
SCHEMBL8241449 0.84 CTSK (0.57) CTSSCTSKCTSBCTSLACE
SCHEMBL181775 0.83 CTSK (0.71) CTSSCTSKCTSBCTSLACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859814-B2 Alpha-substituted N-sulfonyl gylcine amides antagonists of CCR10, compositions containing the same and methods for using them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
EP-2294051-B1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INT (DE) 2014-08-13 EP disclosed
US-20110275612-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
EP-2294051-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM Boehringer Ingelheim International GmbH (DE) 2011-03-16 EP disclosed
WO-2009142984-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-26 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-20110275612-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM CCR10, CCR1, CCR3 CTSS 2486/4885CTSK 2975/4885CTSB 3265/4885

“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.