SCHEMBL16994012

SCHEMBL16994012

O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2c1OCO2)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
PSMB5 P28074 5/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
IDO1 P14902 1/20 0.41
POLB P06746 2/20 0.41
USP30 Q70CQ3 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMB2 P49721 1/20 0.41
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 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
SCHEMBL16993987 0.92 CTSL (0.46) CTSLPSMB5MAPTHTTPOLB
SCHEMBL24862919 0.88 HTT (0.44) CTSLMAPTHTTPOLBMAPK1
SCHEMBL16999363 0.87 USP30 (0.52) CTSLUSP30HPGD
SCHEMBL18261148 0.87 USP30 (0.52) CTSLUSP30HPGD
SCHEMBL16999811 0.83 PSMB5 (0.46) CTSLPSMB5POLBUSP30PSMB1
SCHEMBL16994039 0.83 PSMB5 (0.46) CTSLPSMB5POLBUSP30PSMB1
SCHEMBL19977043 0.83 MAPT (0.53) MAPTHTTPOLBMAPK1KDM4E
SCHEMBL16994003 0.82 HSPA5 (0.56) CTSLMAPTPOLBUSP30MAPK1
SCHEMBL16994001 0.82 USP30 (0.42) CTSLMAPTIDO1POLBUSP30
SCHEMBL16999329 0.80 PSMB5 (0.47) PSMB5MAPTUSP30PSMB1PSMB2

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
WO-2023023378-A1 DUAL-TARGETED RNA POLYMERASE INHIBITORS: CONJUGATES OF BENZOXAZINO- AND SPIRO-RIFAMYCINS WITH Nα-AROYL- N-ARYL-PHENYLALANINAMIDES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-02-23 WO disclosed
EP-3102193-B1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES UNIV RUTGERS (US) 2023-01-11 EP disclosed
EP-3102193-B1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES UNIV RUTGERS (US) 2023-01-11 EP disclosed
US-20210198279-A1 ANTIBACTERIAL AGENTS: DUAL-TARGETED RNA POLYMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-07-01 US disclosed
US-9919998-B2 Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-03-20 US 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
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
WO-2015120320-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-13 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-20210198279-A1 ANTIBACTERIAL AGENTS: DUAL-TARGETED RNA POLYMERASE INHIBITORS POLM, POLR2E, POLR2H CTSL 3435/4885PSMB5 741/4885MAPT 3318/4885
US-20160347708-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES TYR, NAT1, AANAT CTSL 447/4885PSMB5 1008/4885MAPT 2405/4885

“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.