SCHEMBL2352503

SCHEMBL2352503

COc1cc(CC(NC(=O)OC(C)(C)C)C(=O)O)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.56
ITGB7 P26010 2/20 0.56
ACE P12821 2/20 0.56
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
PTPN1 P18031 1/20 0.51
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
FOS P01100 1/20 0.50
TTR P02766 1/20 0.50
JUN P05412 1/20 0.50
NR3C1 P04150 1/20 0.50
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
MME P08473 1/20 0.50
PPARA Q07869 3/20 0.49
PPARG P37231 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL5363804 1.00 ITGA4 (0.56) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL14556176 0.91 ITGA4 (0.50) ITGA4ITGB7ACECTSSCTSK
SCHEMBL24476991 0.91 KLK5 (0.52) ITGA4ITGB7CTSSCTSKFOS
SCHEMBL5786508 0.91 KLK5 (0.52) ITGA4ITGB7CTSSCTSKFOS
SCHEMBL2675545 0.90 LDHA (0.58) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL3814635 0.90 LDHA (0.58) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL29726545 0.90 LDHA (0.58) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL10042360 0.88 ITGA4 (0.56) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL1172086 0.88 ACE (0.60) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL30829409 0.88 ACE (0.60) ACEITGB3ITGA2BPTPN1CTSS

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
EP-2348859-B1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-12-04 EP disclosed
US-8354454-B2 Prodrugs of oxazolidinone CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20110218177-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME LLC 2011-09-08 US disclosed
EP-2348859-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS Merck Sharp & Dohme Corp. (US) 2011-08-03 EP disclosed
WO-2010039474-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-04-08 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-20110218177-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS CETP, SLCO2B1, OXA1L ITGA4 3347/4885ITGB7 2414/4885ACE 715/4885

“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.