SCHEMBL288473

SCHEMBL288473

N[C@H](CCC(=O)O)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.62
SLC15A1 P46059 1/20 0.61
EPHX1 P07099 1/20 0.59
LTA4H P09960 1/20 0.57
KEAP1 Q14145 1/20 0.55
ALPI P09923 1/20 0.55
PKM P14618 1/20 0.55
PTGS1 P23219 1/20 0.55
XIAP P98170 1/20 0.55
SLC7A5 Q01650 1/20 0.55
MMP2 P08253 2/20 0.54
NAALAD2 Q9Y3Q0 1/20 0.53
ANPEP P15144 3/20 0.52
FFAR1 O14842 1/20 0.52
CYP1A2 P05177 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
SLC1A3 P43003 1/20 0.50

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
SCHEMBL5767750 1.00 CPA3 (0.62) CPA3SLC15A1EPHX1LTA4HKEAP1
SCHEMBL157500 1.00 CPA3 (0.62) CPA3SLC15A1EPHX1LTA4HKEAP1
SCHEMBL18387926 0.90 FFAR1 (0.61) CPA3SLC15A1PTGS1FFAR1CYP1A2
SCHEMBL18554219 0.90 FFAR1 (0.61) CPA3SLC15A1PTGS1FFAR1CYP1A2
SCHEMBL11472834 0.89 LTA4H (0.63) CPA3SLC15A1EPHX1LTA4HKEAP1
Hydrochloric Acid SCHEMBL18554239 0.88 FFAR1 (0.59) CPA3SLC15A1PTGS1FFAR1CYP1A2
Hydrochloric Acid SCHEMBL18554241 0.88 FFAR1 (0.59) CPA3SLC15A1PTGS1FFAR1CYP1A2
SCHEMBL23477601 0.87 LTA4H (0.61) CPA3SLC15A1EPHX1LTA4HKEAP1
SCHEMBL7037786 0.87 LTA4H (0.61) CPA3SLC15A1EPHX1LTA4HKEAP1
Hydrochloric Acid SCHEMBL11463062 0.87 LTA4H (0.61) CPA3SLC15A1EPHX1LTA4HKEAP1

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 122 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US claimed
EP-2836485-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2018-01-10 EP claimed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 US claimed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 EP claimed
US-9512139-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2016-12-06 US claimed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 US claimed
EP-2836485-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2015-02-18 EP claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 EP claimed
WO-2013139697-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2013-09-26 WO claimed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 US claimed
EP-2499148-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2012-09-19 EP claimed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 US claimed
WO-2011014973-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2011-02-10 WO claimed
US-20260144888-A1 USE OF A LIQUID AQUEOUS COMPOSITION FOR SOLUBILIZATION AND STABILIZATION OF AN ANTIBODY-DRUG CONJUGATE PIERRE FABRE MEDICAMENT (FR) 2026-05-28 US disclosed
EP-3697208-B1 HIGH-FIDELITY LONG-TERM STORAGE OF BIOLOGICAL MATERIAL CENTRE NAT RECH SCIENT (FR) 2026-04-22 EP disclosed
EP-4687443-A1 METHOD FOR FUNCTIONALISING A SOLID SUBSTRATE WITH A PEPTIDE CONJUGATE Genepep (FR) 2026-02-11 EP disclosed
EP-0574545-B1 PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1994-11-30 EP disclosed
WO-1994011018-A1 OPIOID PEPTIDES BIOMEASURE, INC. (US) 1994-05-26 WO disclosed
EP-0574545-A1 PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS. SEARLE & CO (US) 1993-12-22 EP disclosed
WO-1992015607-A2 PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-09-17 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 (5 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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A CPA3 2275/4885SLC15A1 2370/4885EPHX1 3471/4885
US-20260144888-A1 USE OF A LIQUID AQUEOUS COMPOSITION FOR SOLUBILIZATION AND STABILIZATION OF AN ANTIBODY-DRUG CONJUGATE IGF1R, CD44, MUC1 CPA3 2984/4885SLC15A1 808/4885EPHX1 4868/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS CPA3 16/4885SLC15A1 2718/4885EPHX1 1622/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 CPA3 1959/4885SLC15A1 3234/4885EPHX1 3082/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS CPA3 16/4885SLC15A1 2718/4885EPHX1 1622/4885

“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.