SCHEMBL14060727

SCHEMBL14060727

C=CCOC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.43
▸ EPHX2 P34913 1/20 0.41
▸ MDM4 O15151 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CASP3 P42574 2/20 0.38
▸ GRB2 P62993 1/20 0.38
▸ ALB P02768 1/20 0.37
▸ IL2 P60568 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SLC17A5 Q9NRA2 1/20 0.36

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
SCHEMBL15762708 1.00 PTPN1 (0.43) PTPN1EPHX2MDM4TP53CASP3
SCHEMBL29400507 0.88 ALB (0.48) PTPN1EPHX2MDM4TP53CASP3
SCHEMBL5062433 0.88 ALB (0.48) PTPN1EPHX2MDM4TP53CASP3
SCHEMBL9359175 0.88 ALB (0.48) PTPN1EPHX2MDM4TP53CASP3
SCHEMBL14060845 0.86 PTPN1 (0.46) PTPN1EPHX2MDM4TP53CASP3
SCHEMBL13021161 0.85 PTPN1 (0.46) PTPN1EPHX2MDM4TP53CASP3
SCHEMBL15754928 0.85 PTPN1 (0.39) PTPN1MDM4TP53CASP3ALDH1A1
SCHEMBL3868341 0.84 PTPN1 (0.46) PTPN1EPHX2MDM4TP53CASP3
SCHEMBL18362192 0.84 EPHX2 (0.47) PTPN1EPHX2MDM4TP53CASP3
SCHEMBL14582839 0.84 EPHX2 (0.47) PTPN1EPHX2MDM4TP53CASP3

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-2712357-B1 MODIFIED TYROSINE AMINO ACIDS, PEPTIDES CONTAINING THEM, AND THEIR USE FOR DETECTING HYDROLASE ENZYME ACTIVITY PAMGENE BV (NL) 2018-04-04 — — EP disclosed
US-9448237-B2 Modified tyrosine amino acids, peptides containing them, and their use for detecting hydrolase enzyme activity PAMGENE B.V. (NL) 2016-09-20 — — US disclosed
US-20140231783-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2014-08-21 — — US disclosed
US-20140155286-A1 MODIFIED TYROSINE AMINO ACIDS, PEPTIDES CONTAINING THEM, AND THEIR USE FOR DETECTING HYDROLASE ENZYME ACTIVITY PAMGENE B.V. (NL) 2014-06-05 — — US disclosed
WO-2012159997-A1 MODIFIED TYROSINE AMINO ACIDS, PEPTIDES CONTAINING THEM, AND THEIR USE FOR DETECTING HYDROLASE ENZYME ACTIVITY PAMGENE B.V. (NL) 2012-11-29 — — 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-20140155286-A1 MODIFIED TYROSINE AMINO ACIDS, PEPTIDES CONTAINING THEM, AND THEIR USE FOR DETECTING HYDROLASE ENZYME ACTIVITY PTMS, TH, TYR PTPN1 74/4885EPHX2 201/4885MDM4 3868/4885

“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.

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