SCHEMBL10654984

SCHEMBL10654984

O=C(NC(Cc1ccccc1)C(=O)O)c1cccs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.68
▸ HSPA1A P0DMV8 1/20 0.64
▸ HSPA5 P11021 1/20 0.64
▸ HSPA9 P38646 1/20 0.64
▸ HSPA2 P54652 1/20 0.64
▸ HPGD P15428 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ HPGDS O60760 1/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CA2 P00918 2/20 0.56
▸ CA1 P00915 1/20 0.56
▸ PTPN1 P18031 1/20 0.55
▸ MME P08473 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ACE P12821 2/20 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
SCHEMBL10654990 1.00 CTSL (0.68) CTSLHSPA1AHSPA5HSPA9HSPA2
SCHEMBL16993982 0.90 CTSL (0.57) CTSLHSPA1AHSPA5HSPA9HSPA2
SCHEMBL16993875 0.90 CTSL (0.57) CTSLHSPA1AHSPA5HSPA9HSPA2
SCHEMBL15689516 0.85 CTSL (0.55) CTSLHSPA1AHSPA5HSPA9HSPA2
SCHEMBL11386076 0.84 RAB9A (0.54) CTSLHSPA1AHSPA5HSPA9HSPA2
SCHEMBL9705401 0.84 RAB9A (0.54) CTSLHSPA1AHSPA5HSPA9HSPA2
SCHEMBL9705400 0.84 RAB9A (0.54) CTSLHSPA1AHSPA5HSPA9HSPA2
SCHEMBL8144685 0.83 HSPA5 (0.61) CTSLHSPA1AHSPA5HSPA9HSPA2
SCHEMBL16375213 0.83 HSPA1A (0.53) CTSLHSPA1AHSPA5HSPA9HSPA2
SCHEMBL24862855 0.82 HPGD (0.77) CTSLHSPA1AHSPA5HSPA9HSPA2

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 7 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
WO-2020014726-A1 TREATMENT FOR LIVER REGENERATION XENEXUS PHARMACEUTICALS PTY. LTD. (AU) 2020-01-23 — — WO 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-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 — — US 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 447/4885HSPA1A 1715/4885HSPA5 2539/4885

“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.

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