SCHEMBL3176982

SCHEMBL3176982

O=C(O)CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.54
APP P05067 2/20 0.52
MMP2 P08253 8/20 0.51
MMP1 P03956 4/20 0.51
MMP9 P14780 4/20 0.51
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.50
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
AKR1B10 O60218 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL30819205 1.00 CAPN1 (0.54) CAPN1APPMMP2MMP1MMP9
SCHEMBL3789459 1.00 CAPN1 (0.54) CAPN1APPMMP2MMP1MMP9
SCHEMBL12231157 0.90 CAPN1 (0.52) CAPN1APPMMP2MMP1MMP9
SCHEMBL7121471 0.88 CAPN1 (0.55) CAPN1APPMMP2MMP1MMP9
SCHEMBL7121470 0.88 CAPN1 (0.55) CAPN1APPMMP2MMP1MMP9
SCHEMBL3167032 0.87 CAPN1 (0.56) CAPN1APPMMP2MMP1MMP9
SCHEMBL3161411 0.87 CAPN1 (0.56) CAPN1APPMMP2MMP1MMP9
SCHEMBL30702652 0.87 CAPN1 (0.56) CAPN1APPMMP2MMP1MMP9
SCHEMBL17938810 0.87 CAPN1 (0.56) CAPN1APPMMP2MMP1MMP9
SCHEMBL3176677 0.87 CAPN1 (0.56) CAPN1APPMMP2MMP1MMP9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396083-A2 PRODUCTS COMPRISING N-PHENYLPROPENOYL AMINO ACID AMIDES AND USES THEREOF Nestec S.A. (CH) 2011-12-21 EP claimed
WO-2010091981-A2 PRODUCTS COMPRISING N-PHENYLPROPENOYL AMINO ACID AMIDES AND USES THEREOF NESTEC S.A. (CH) 2010-08-19 WO claimed
EP-2396083-A2 PRODUCTS COMPRISING N-PHENYLPROPENOYL AMINO ACID AMIDES AND USES THEREOF Nestec S.A. (CH) 2011-12-21 EP disclosed
WO-2010091981-A2 PRODUCTS COMPRISING N-PHENYLPROPENOYL AMINO ACID AMIDES AND USES THEREOF NESTEC S.A. (CH) 2010-08-19 WO disclosed
US-20100008976-A1 Medical Use of N-Phenylpropenoyl-Amino Acid Derivatives and Related Compounds Westfallsche Wilheims Universitat Munster (DE) 2010-01-14 US 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-20100008976-A1 Medical Use of N-Phenylpropenoyl-Amino Acid Derivatives and Related Compounds AADAT, DNPEP, DDC CAPN1 2605/4885APP 804/4885MMP2 1166/4885

“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.