SCHEMBL16668017

SCHEMBL16668017

COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)OCc1ccccc1)NC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
THRB P10828 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TACR1 P25103 1/20 0.57
MMP9 P14780 1/20 0.54
ATM Q13315 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.51
POLB P06746 1/20 0.50
REN P00797 1/20 0.49
CAPN1 P07384 1/20 0.49
BIRC2 Q13490 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49

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
SCHEMBL16667994 0.91 ALDH1A1 (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL9020942 0.91 ALDH1A1 (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL5303963 0.91 ALDH1A1 (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL8245888 0.91 ALDH1A1 (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL27523222 0.91 ALDH1A1 (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL16667936 0.88 GAA (0.58) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL16668525 0.88 ALDH1A1 (0.62) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL9020754 0.88 ALDH1A1 (0.62) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL3734223 0.87 ALDH1A1 (0.68) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL27488362 0.87 ALDH1A1 (0.68) 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 2 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
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

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.