SCHEMBL17848962

SCHEMBL17848962

CC(=O)N(CC(=O)O)C(=O)C(Nc1cccc(O)c1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
ADAMTS4 O75173 1/20 0.38
NLRP3 Q96P20 3/20 0.38
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGDS O60760 1/20 0.36
SIRT5 Q9NXA8 1/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL17849026 0.85 MAPT (0.36) ALDH1A1ADAMTS4MAPTNPC1RAB9A
SCHEMBL1170580 0.84 CTSL (0.49) ALDH1A1CYP1A2MAPTRAB9ATP53
SCHEMBL17849020 0.81 KMT2A (0.38) ALDH1A1NPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL17848980 0.81 ALDH1A1 (0.35) ALDH1A1MAPTNPC1
Methyl Alcohol SCHEMBL17848974 0.79 MEN1 (0.35) ALDH1A1MAPTNPC1RAB9AHSD17B10
SCHEMBL17848988 0.76 KMT2A (0.46) ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL5328095 0.68 CYP3A4 (0.53) ALDH1A1CYP1A2NLRP3MAPTNPC1
SCHEMBL5328091 0.68 CYP3A4 (0.53) ALDH1A1CYP1A2NLRP3MAPTNPC1
SCHEMBL30417385 0.66 CYP3A4 (0.41) ALDH1A1CYP1A2ADAMTS4MAPTNPC1
SCHEMBL10915411 0.66 ALDH1A1 (0.50) ALDH1A1CYP1A2NLRP3MAPTMAPK1

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 736/4885CYP1A2 1356/4885ADAMTS4 4811/4885

“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.