SCHEMBL1037591

SCHEMBL1037591

CC(C)(C)OC(=O)NC(CCn1nccc1Br)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.43
ITGB7 P26010 2/20 0.43
PPARA Q07869 8/20 0.42
PPARG P37231 7/20 0.42
ITGAV P06756 3/20 0.42
ITGB6 P18564 3/20 0.42
ACE P12821 1/20 0.42
CTSS P25774 3/20 0.41
CTSK P43235 3/20 0.41
PPARD Q03181 2/20 0.41
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

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
SCHEMBL1312123 0.90 GSTP1 (0.41) ITGA4ITGB7CTSSCTSKALDH1A1
SCHEMBL1037007 0.86 PPARA (0.44) ITGA4ITGB7PPARAPPARGITGAV
SCHEMBL1035380 0.84 PPARA (0.43) ITGA4ITGB7PPARAPPARGITGAV
SCHEMBL1311303 0.80 KMT2A (0.42) ALDH1A1TSHRITGB3ITGA2B
SCHEMBL1076536 0.79 ITGA4 (0.46) ITGA4ITGB7PPARAPPARGITGAV
SCHEMBL28853919 0.75 PPARA (0.42) ITGA4ITGB7PPARAPPARGACE
SCHEMBL1033716 0.75 PPARA (0.42) ITGA4ITGB7PPARAPPARGACE
SCHEMBL1311808 0.73 CTSS (0.41) CTSSCTSK
SCHEMBL31004971 0.73 AKT1 (0.58) ITGA4ITGB7PPARAPPARGACE
SCHEMBL10077573 0.73 AKT1 (0.58) ITGA4ITGB7PPARAPPARGACE

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 ITGA4 1564/4885ITGB7 3196/4885PPARA 770/4885

“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.