SCHEMBL1082633

SCHEMBL1082633

CC(C)(C)OC(=O)NC(CCn1ccnc1Cl)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.42
PPARG P37231 6/20 0.42
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
ACE P12821 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
P2RX3 P56373 1/20 0.39
PPARD Q03181 2/20 0.39
PTPN1 P18031 1/20 0.39
CCR10 P46092 1/20 0.38
FPR2 P25090 1/20 0.38
ITGAV P06756 2/20 0.38
ITGB6 P18564 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
IDO1 P14902 1/20 0.38
P2RY2 P41231 1/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL1311478 0.90 P2RY2 (0.41) PPARAPPARGITGA4ITGB7P2RX3
SCHEMBL23860001 0.86 ARG1 (0.49) PPARAPPARGITGB3ITGA2BACE
SCHEMBL23860004 0.86 ARG1 (0.49) PPARAPPARGITGB3ITGA2BACE
SCHEMBL1313504 0.82 PPARA (0.43) PPARAPPARGITGB3ITGA2BACE
SCHEMBL21062430 0.80 ARG1 (0.56) PPARAPPARGITGB3ITGA2BACE
SCHEMBL21062432 0.80 ARG1 (0.56) PPARAPPARGITGB3ITGA2BACE
SCHEMBL31250951 0.80 ARG1 (0.56) PPARAPPARGITGB3ITGA2BACE
SCHEMBL21419086 0.78 DRD2 (0.46) ALDH1A1
SCHEMBL1037007 0.77 PPARA (0.44) PPARAPPARGITGB3ITGA2BACE
SCHEMBL1076536 0.76 ITGA4 (0.46) PPARAPPARGITGB3ITGA2BACE

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 896/4885ITGB3 3069/4885

“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.