SCHEMBL1037007

SCHEMBL1037007

CC(C)(C)OC(=O)NC(CCn1nccc1Cl)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.44
PPARG P37231 7/20 0.44
ITGA4 P13612 2/20 0.43
ITGB7 P26010 2/20 0.43
ACE P12821 1/20 0.42
PPARD Q03181 2/20 0.41
P2RX3 P56373 1/20 0.41
ITGAV P06756 2/20 0.40
ITGB6 P18564 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
IDO1 P14902 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CCR10 P46092 1/20 0.39
PTPN1 P18031 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
SCHEMBL1037591 0.86 ITGA4 (0.43) PPARAPPARGITGA4ITGB7ACE
SCHEMBL1035380 0.84 PPARA (0.43) PPARAPPARGITGA4ITGB7ACE
SCHEMBL1076536 0.79 ITGA4 (0.46) PPARAPPARGITGA4ITGB7ACE
SCHEMBL1082633 0.77 PPARA (0.42) PPARAPPARGITGA4ITGB7ACE
SCHEMBL1312123 0.76 GSTP1 (0.41) ITGA4ITGB7ALDH1A1CTSSCTSK
SCHEMBL28853919 0.75 PPARA (0.42) PPARAPPARGITGA4ITGB7ACE
SCHEMBL1033716 0.75 PPARA (0.42) PPARAPPARGITGA4ITGB7ACE
SCHEMBL1311808 0.73 CTSS (0.41) CTSSCTSKCCR10
SCHEMBL31644611 0.73 ACE (0.48) PPARAPPARGITGA4ITGB7ACE
SCHEMBL15496837 0.73 P2RX3 (0.43) PPARAPPARGITGA4ITGB7ACE

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 8 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-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
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 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
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 896/4885ITGA4 1564/4885

“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.