SCHEMBL6807540

SCHEMBL6807540

Cc1ccc(C[C@@H](O)CC(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
ACACB O00763 1/20 0.40
PARP10 Q53GL7 1/20 0.39
IDO1 P14902 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
PSMB5 P28074 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL18031709 0.83 ACACB (0.44) PPARGPPARATRPA1TRPV1ACACB
SCHEMBL6463393 0.83 KMT2A (0.49) PPARGPPARATRPA1TRPV1PSMB5
SCHEMBL14672759 0.83 CYP2C19 (0.44) EPHX1CYP2C19PPARGPPARAALDH1A1
SCHEMBL6803856 0.83 KMT2A (0.49) PPARGPPARATRPA1TRPV1PSMB5
SCHEMBL21427056 0.81 EPHX1 (0.43) EPHX1CYP2C19PPARGPPARAALDH1A1
SCHEMBL11298234 0.81 SLC6A4 (0.48) CYP2C19PPARGPPARATRPA1
SCHEMBL28148321 0.81 TRPA1 (0.61) EPHX1TRPA1ALDH1A1TRPV1
Hydrochloric Acid SCHEMBL6802406 0.80 CYP2C19 (0.42) EPHX1CYP2C19PPARGPPARAALDH1A1
SCHEMBL6803232 0.80 ALDH1A1 (0.49) PPARATRPA1ALDH1A1TRPV1CA2
SCHEMBL30556750 0.80 IDO1 (0.46) PPARGPPARAACACBIDO1PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063959-A1 Esters and amides as PLA2 inhibitors FUKAMI NAOKI (JP) 2004-04-01 US disclosed
US-20020169326-A1 Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2002-11-14 US disclosed
EP-0854863-B1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-30 EP disclosed
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-14 US disclosed
EP-0854863-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 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 (3 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-20040063959-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B EPHX1 272/4885CYP2C19 502/4885PPARG 301/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B EPHX1 243/4885CYP2C19 617/4885PPARG 376/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B EPHX1 301/4885CYP2C19 499/4885PPARG 297/4885

“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.