SCHEMBL17860573

SCHEMBL17860573

CCOC(=O)CNC(=O)C(C(C)C)N(C(C)=O)c1ccc(C(=O)OCC)c(C(=O)OCC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 5/20 0.38
TSHR P16473 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PPID Q08752 3/20 0.34
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 3/20 0.33
RAB9A P51151 3/20 0.33
TP53 P04637 2/20 0.33
NPC1 O15118 2/20 0.33
THRB P10828 1/20 0.33
GLA P06280 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
SCHEMBL17860524 0.92 CA12 (0.43) ALDH1A1SMN1; SMN2MAPTKDM4ETSHR
SCHEMBL17860576 0.92 CA12 (0.43) ALDH1A1SMN1; SMN2MAPTKDM4ETSHR
SCHEMBL17860574 0.86 HTT (0.43) ALDH1A1SMN1; SMN2MAPTKDM4ETSHR
SCHEMBL17848986 0.83 CA12 (0.43) ALDH1A1SMN1; SMN2MAPTKDM4ETSHR
SCHEMBL17848982 0.83 CA12 (0.43) ALDH1A1SMN1; SMN2MAPTKDM4ETSHR
SCHEMBL17860509 0.82 MAPT (0.39) ALDH1A1SMN1; SMN2MAPTKDM4EPPID
SCHEMBL5598191 0.79 NPSR1 (0.40) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL5598193 0.79 NPSR1 (0.40) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL29600101 0.79 NPSR1 (0.40) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL17860521 0.78 PDCD1 (0.40) ALDH1A1SMN1; SMN2MAPTKDM4EPPID

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 3 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
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 736/4885SMN1; SMN2 4255/4885MAPT 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.