SCHEMBL8602589

SCHEMBL8602589

COC(=O)CC(N)C(=O)NC(Cc1ccccc1)C(=O)OC

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
THRB P10828 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
HSD17B10 Q99714 1/20 0.62
OPRK1 P41145 1/20 0.57
ATM Q13315 1/20 0.56
POLB P06746 1/20 0.54
MMP1 P03956 1/20 0.54
BIRC2 Q13490 1/20 0.53
LMNA P02545 1/20 0.52
GLA P06280 1/20 0.52
TSHR P16473 1/20 0.52
ANPEP P15144 1/20 0.51

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
SCHEMBL7436321 1.00 ALDH1A1 (0.62) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL8605449 0.99 ALDH1A1 (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL16667824 0.91 ALDH1A1 (0.58) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL18164963 0.91 ALDH1A1 (0.58) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL10625481 0.91 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL10635593 0.91 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL11122650 0.91 MME (0.56) MMP1
Aspartame SCHEMBL8761655 0.91 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL8091203 0.91 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL11085391 0.91 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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
US-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT REPUBLIC OF KOREA (RURAL DEVELOPMENT ADMINISTRATION) (KR) 2015-04-30 US claimed
JP-6172382-A None JP disclosed
US-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT REPUBLIC OF KOREA (RURAL DEVELOPMENT ADMINISTRATION) (KR) 2015-04-30 US disclosed
EP-0297560-B1 Imides; a process for their production and a process for the production of dipeptides using them AJINOMOTO KK (JP) 1998-03-04 EP disclosed
EP-0327030-B1 Method for producing alpha-aspartylphenylalanine derivatives AJINOMOTO KK (JP) 1995-01-25 EP disclosed
JP-H06172382-A PRODUCTION OF ALPHA-L-ASPARTYL-L-PHENYLALANINE AJINOMOTO CO INC 1994-06-21 JP disclosed
US-4942255-A ISOMERIZATION WITH A BASIC COMPOUND IN AN ALCOHOLIC SOLVENT TO PREVENT PRECIPITATION OF SALTS AJINOMOTO CO., INC. (JP) 1990-07-17 US disclosed
US-4904802-A Imides AJINOMOTO CO., INC. (JP) 1990-02-27 US disclosed
EP-0327030-A2 Method for producing alpha-aspartylphenylalanine derivatives AJINOMOTO CO., INC. (JP) 1989-08-09 EP disclosed
EP-0297560-A2 Imides; a process for their production and a process for the production of dipeptides using them Ajinomoto Co., Inc. (JP) 1989-01-04 EP disclosed
US-4673744-A IN ALCOHOL SOLVENT AJINOMOTO CO., INC. (JP) 1987-06-16 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-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT PEPD, DNPEP, DPP7 ALDH1A1 4580/4885THRB 2211/4885CYP2C9 4697/4885

“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.