SCHEMBL1972111

SCHEMBL1972111

COC(=O)C(Cc1ccc(OC(C)=O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.54
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
CTSS P25774 6/20 0.49
CTSK P43235 5/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
ACE P12821 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX2 P34913 1/20 0.45
ABCB1 P08183 1/20 0.45
BCL2 P10415 1/20 0.45

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
SCHEMBL2802881 0.90 KLK5 (0.52) KLK5ITGB3ITGA2BCTSSCTSK
SCHEMBL2802882 0.90 KLK5 (0.52) KLK5ITGB3ITGA2BCTSSCTSK
SCHEMBL8668331 0.89 ITGB3 (0.65) ITGB3ITGA2BCTSSCTSKPPARG
SCHEMBL16993952 0.89 ITGB3 (0.65) ITGB3ITGA2BCTSSCTSKPPARG
SCHEMBL8669351 0.89 ITGB3 (0.65) ITGB3ITGA2BCTSSCTSKPPARG
SCHEMBL5408855 0.88 PPARG (0.57) KLK5ITGB3ITGA2BCTSSCTSK
SCHEMBL5408845 0.88 PPARG (0.57) KLK5ITGB3ITGA2BCTSSCTSK
SCHEMBL5123922 0.88 ITGB3 (0.52) ITGB3ITGA2BCTSSCTSKPPARG
SCHEMBL5123928 0.88 ITGB3 (0.52) ITGB3ITGA2BCTSSCTSKPPARG
SCHEMBL13933239 0.87 ABCB1 (0.57) KLK5ITGB3ITGA2BCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102193-B1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES UNIV RUTGERS (US) 2023-01-11 EP disclosed
US-9919998-B2 Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-03-20 US disclosed
EP-3102193-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES Rutgers, The State University of New Jersey (US) 2016-12-14 EP disclosed
US-20160347708-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2016-12-01 US disclosed
WO-2015120320-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-13 WO disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
EP-2334689-A2 FUSED HETEROCYCLIC COMPOUND LG Life Sciences Ltd. (KR) 2011-06-22 EP disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 WO disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 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 (2 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-20160347708-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES TYR, NAT1, AANAT KLK5 3875/4885ITGB3 3991/4885ITGA2B 4247/4885
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND F2, PF4, F11 KLK5 2375/4885ITGB3 2588/4885ITGA2B 1363/4885

“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.