SCHEMBL17848971

SCHEMBL17848971

COOC(=O)c1cc(C(=O)OOC)cc(N(C(C)=O)[C@H](C(=O)NCC(=O)O)C(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ECE1 P42892 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MME P08473 2/20 0.33
ACE P12821 2/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL28534964 0.93 HSD17B10 (0.39) HSD17B10LMNAALDH1A1ECE1MAPT
SCHEMBL17860489 0.93 HSD17B10 (0.39) HSD17B10LMNAALDH1A1ECE1MAPT
SCHEMBL17848979 0.87 ALDH1A1 (0.37) HSD17B10LMNAALDH1A1ECE1MAPT
SCHEMBL17848975 0.87 ALDH1A1 (0.37) HSD17B10LMNAALDH1A1ECE1MAPT
SCHEMBL17860506 0.82 CA12 (0.36) HSD17B10LMNAALDH1A1MAPTKDM4E
SCHEMBL3747440 0.77 MME (0.45) HSD17B10LMNAALDH1A1ECE1MAPT
SCHEMBL17860525 0.77 MAPT (0.37) HSD17B10LMNAALDH1A1ECE1MAPT
SCHEMBL17849025 0.75 ALDH1A1 (0.38) HSD17B10LMNAALDH1A1ECE1MAPT
SCHEMBL17849024 0.75 ALDH1A1 (0.38) HSD17B10LMNAALDH1A1ECE1MAPT
SCHEMBL17848982 0.74 CA12 (0.43) HSD17B10LMNAALDH1A1MAPTTDP1

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 HSD17B10 869/4885LMNA 491/4885ALDH1A1 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.