SCHEMBL16250712

SCHEMBL16250712

N[C@H](CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 5/20 0.61
BMP1 P13497 1/20 0.59
TACR1 P25103 4/20 0.57
ERAP1 Q9NZ08 7/20 0.57
ERAP2 Q6P179 7/20 0.57
PPARG P37231 1/20 0.57
IL1RN P18510 3/20 0.56
ACE P12821 1/20 0.56
PLG P00747 2/20 0.55

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
SCHEMBL9966740 0.93 MEN1 (0.65) LNPEPBMP1TACR1ERAP1ERAP2
SCHEMBL15591438 0.93 MEN1 (0.65) LNPEPBMP1TACR1ERAP1ERAP2
SCHEMBL9931405 0.92 LNPEP (0.67) LNPEPBMP1TACR1ERAP1ERAP2
Hydrochloric Acid SCHEMBL645269 0.92 MEN1 (0.64) LNPEPBMP1TACR1ERAP1ERAP2
SCHEMBL9970156 0.91 LNPEP (0.60) LNPEPTACR1ERAP1ERAP2IL1RN
SCHEMBL16254021 0.89 POLB (0.60) ERAP2PPARGACE
SCHEMBL16250728 0.89 MEN1 (0.65) ERAP2PPARGACE
SCHEMBL12966277 0.89 ERAP2 (0.60) LNPEPTACR1ERAP1ERAP2IL1RN
Golotimod SCHEMBL726938 0.88 KDM4E (0.65) ERAP2PPARGACE
Golotimod SCHEMBL12818886 0.88 KDM4E (0.65) ERAP2PPARGACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343050-A1 PRODRUGS OF D-ISOGLUTAMYL-[D/L]-TRYPTOPHAN APTOEX TECHNOLOGIES, INC. (CA) 2014-11-20 US disclosed
US-20140343050-A1 PRODRUGS OF D-ISOGLUTAMYL-[D/L]-TRYPTOPHAN APTOEX TECHNOLOGIES, INC. (CA) 2014-11-20 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-20140343050-A1 PRODRUGS OF D-ISOGLUTAMYL-[D/L]-TRYPTOPHAN TPH1, TYMS, TDO2 LNPEP 150/4885BMP1 3128/4885TACR1 3277/4885

“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.