SCHEMBL17848960

SCHEMBL17848960

CC(=O)N(c1cccc(O)c1)[C@H](C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.37
ACE P12821 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
ECE1 P42892 1/20 0.35
KCNE1 P15382 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNQ1 P51787 1/20 0.34
CACNA1C Q13936 1/20 0.34
HPGD P15428 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL17848959 1.00 MME (0.37) MMEACEALDH1A1CYP3A4TSHR
SCHEMBL3747440 0.87 MME (0.45) MMEACEALDH1A1MAPTTP53
SCHEMBL17860509 0.85 MAPT (0.39) ALDH1A1CYP3A4MAPTTP53HPGD
SCHEMBL17849024 0.85 ALDH1A1 (0.38) MMEACEALDH1A1MAPTLMNA
SCHEMBL17849025 0.85 ALDH1A1 (0.38) MMEACEALDH1A1MAPTLMNA
SCHEMBL29600045 0.84 GPR139 (0.42) ALDH1A1CYP3A4TP53OPRM1
SCHEMBL1170578 0.84 GPR139 (0.42) ALDH1A1CYP3A4TP53OPRM1
SCHEMBL17860463 0.84 GPR139 (0.42) MMEACEALDH1A1MAPTLMNA
SCHEMBL942690 0.84 GPR139 (0.42) ALDH1A1CYP3A4TP53OPRM1
SCHEMBL17849018 0.81 MCL1 (0.39) MMEACEALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233886-B1 COMPOUNDS IN THE FAMILY OF N-ACYLAMINO-AMIDES, COMPOSITIONS COMPRISING THEM, AND USES OREAL (FR) 2020-02-26 EP disclosed
US-20170360667-A1 NEW COMPOUNDS IN THE FAMILY OF N-ACYLAMINO-AMIDES, COMPOSITIONS COMPRISING THEM, AND USES L'OREAL (FR) 2017-12-21 US disclosed
EP-3233886-A1 COMPOUNDS IN THE FAMILY OF N-ACYLAMINO-AMIDES, COMPOSITIONS COMPRISING THEM, AND USES L'Oréal (FR) 2017-10-25 EP disclosed
WO-2016096804-A1 COMPOUNDS IN THE FAMILY OF N-ACYLAMINO-AMIDES, COMPOSITIONS COMPRISING THEM, AND USES L'OREAL (FR) 2016-06-23 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 (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-20170360667-A1 NEW COMPOUNDS IN THE FAMILY OF N-ACYLAMINO-AMIDES, COMPOSITIONS COMPRISING THEM, AND USES H1-0, CRY1, CCNA1 MME 2125/4885ACE 2716/4885ALDH1A1 736/4885

“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.