SCHEMBL6450002

SCHEMBL6450002

O=C(NC(Cc1ccccc1)C(=O)O)c1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.60
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
ITGA4 P13612 1/20 0.55
PTPN1 P18031 1/20 0.55
MME P08473 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL16993908 1.00 CTSL (0.60) CTSLPOLBL3MBTL1ITGA4PTPN1
SCHEMBL28613992 0.86 KMT2A (0.60) CTSLPOLBNPC1RAB9AALDH1A1
SCHEMBL16088662 0.84 L3MBTL1 (0.60) L3MBTL1PTPN1MMEKMT2ANPSR1
SCHEMBL8337801 0.84 L3MBTL1 (0.60) L3MBTL1ITGA4PTPN1MMEKMT2A
SCHEMBL23864379 0.84 L3MBTL1 (0.60) L3MBTL1PTPN1MMEKMT2ANPSR1
SCHEMBL12983653 0.84 POLB (0.54) CTSLPOLBPTPN1NPC1RAB9A
SCHEMBL3497457 0.83 L3MBTL1 (0.58) L3MBTL1PTPN1MMEALDH1A1KMT2A
SCHEMBL29619848 0.83 L3MBTL1 (0.58) L3MBTL1PTPN1MMEALDH1A1KMT2A
SCHEMBL31444904 0.83 POLB (0.56) CTSLPOLBNPC1RAB9AALDH1A1
SCHEMBL7518479 0.83 L3MBTL1 (0.58) L3MBTL1PTPN1MMEALDH1A1KMT2A

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
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
EP-1001764-A4 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2005-08-24 EP disclosed
EP-1001764-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-05-24 EP disclosed
WO-1998053814-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 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-20160347708-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES TYR, NAT1, AANAT CTSL 447/4885POLB 30/4885L3MBTL1 341/4885

“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.