SCHEMBL17848979

SCHEMBL17848979

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PTGS2 P35354 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ECE1 P42892 1/20 0.37
MME P08473 3/20 0.34
ACE P12821 2/20 0.34
MEP1B Q16820 4/20 0.34
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.31
MMP1 P03956 2/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP14 P50281 2/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL17848975 1.00 ALDH1A1 (0.37) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL17860489 0.89 HSD17B10 (0.39) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL28534964 0.89 HSD17B10 (0.39) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL17860525 0.87 MAPT (0.37) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL17848971 0.87 HSD17B10 (0.34) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL3747440 0.82 MME (0.45) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL17848978 0.81 ALDH1A1 (0.35) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL17848976 0.81 ALDH1A1 (0.35) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL17849025 0.80 ALDH1A1 (0.38) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL17849024 0.80 ALDH1A1 (0.38) ALDH1A1LMNAMAPTPTGS2TDP1

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 ALDH1A1 736/4885LMNA 491/4885MAPT 3886/4885

“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.