SCHEMBL6655475

SCHEMBL6655475

CCOC(=O)C(CNC(C)=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.51
MTNR1B P49286 4/20 0.51
MMP8 P22894 1/20 0.51
CASR P41180 1/20 0.49
GAA P10253 1/20 0.47
GLS O94925 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
PIN1 Q13526 1/20 0.44
EPHX2 P34913 1/20 0.44
PPARG P37231 1/20 0.44
NAMPT P43490 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5370889 0.87 MTNR1A (0.54) MTNR1AMTNR1BGLSMEN1KMT2A
SCHEMBL11489742 0.84 MMP8 (0.54) MMP8CASRGAASMN1; SMN2ALDH1A1
SCHEMBL4768337 0.84 MMP8 (0.48) MMP8CASRGAASMN1; SMN2MAPT
SCHEMBL1824335 0.83 SMN1; SMN2 (0.44) MTNR1AMTNR1BSMN1; SMN2ALDH1A1PPARG
SCHEMBL11494074 0.83 MMP8 (0.53) MMP8CASRGAASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL7137164 0.82 MMP2 (0.47) MMP8CASRGAASMN1; SMN2MAPT
SCHEMBL28580536 0.82 MTNR1A (0.49) MTNR1AMTNR1BMMP8CASRSMN1; SMN2
SCHEMBL640978 0.82 MTNR1A (0.58) MTNR1AMTNR1BGLSSMN1; SMN2
SCHEMBL5435795 0.82 MTNR1A (0.58) MTNR1AMTNR1BGLSSMN1; SMN2
SCHEMBL7310621 0.81 HSD17B10 (0.59) SMN1; SMN2MAPTHTTMEN1KMT2A

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
US-20040186314-A1 Process for the preparation of enantiomerically enriched n-acyl-beta-amino acid derivatives by enantioselective hydrogenation of the corresponding (z)-enamides MALAN CHRISTOPHE GUILLAUME (CH) 2004-09-23 US disclosed
EP-1421059-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED N-ACYL-BETA-AMINO ACID DERIVATIVES BY ENANTIOSELECTIVE HYDROGENATION OF THE CORRESPONDING (Z)-ENAMIDES DOW GLOBAL TECHNOLOGIES INC. (US) 2004-05-26 EP disclosed
WO-2003016264-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED N-ACYL-BETA-AMINO ACID DERIVATIVES BY ENANTIOSELECTIVE HYDROGENATION OF THE CORRESPONDING (Z)-ENAMIDES CHIROTECH TECHNOLOGY LIMITED (GB) 2003-02-27 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-20040186314-A1 Process for the preparation of enantiomerically enriched n-acyl-beta-amino acid derivatives by enantioselective hydrogenation of the corresponding (z)-enamides EEF1D, ADH5, HRH3 MTNR1A 2147/4885MTNR1B 2480/4885MMP8 4155/4885

“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.