SCHEMBL16860736

SCHEMBL16860736

N[C@@H](CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 3/20 0.70
▸ MMP2 P08253 3/20 0.59
▸ YARS1 P54577 2/20 0.53
▸ PTGS1 P23219 2/20 0.50
▸ ERAP2 Q6P179 2/20 0.50
▸ LNPEP Q9UIQ6 2/20 0.50
▸ ALPI P09923 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ XIAP P98170 1/20 0.50
▸ CSK P41240 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ RECQL P46063 1/20 0.47

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
SCHEMBL29487634 0.88 SLC7A5 (0.61) SLC7A5MMP2YARS1PTGS1ERAP2
SCHEMBL28718171 0.88 SLC7A5 (0.61) SLC7A5MMP2YARS1PTGS1ERAP2
SCHEMBL24130707 0.85 SLC7A5 (0.58) SLC7A5MMP2YARS1OPRD1
SCHEMBL16860710 0.85 SLC7A5 (0.66) SLC7A5MMP2YARS1PTGS1ERAP2
Tyrosine SCHEMBL1581 0.83 SLC7A5 (1.00) SLC7A5PTGS1ALPIPKMXIAP
Tyrosine SCHEMBL11520041 0.83 SLC7A5 (1.00) SLC7A5PTGS1ALPIPKMXIAP
Tyrosine SCHEMBL11676367 0.83 SLC7A5 (1.00) SLC7A5PTGS1ALPIPKMXIAP
Tyrosine SCHEMBL638520 0.83 SLC7A5 (1.00) SLC7A5PTGS1ALPIPKMXIAP
Tyrosine SCHEMBL20787 0.83 SLC7A5 (1.00) SLC7A5PTGS1ALPIPKMXIAP
Tyrosine SCHEMBL11520027 0.83 SLC7A5 (1.00) SLC7A5PTGS1ALPIPKMXIAP

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-3087094-B1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS POLYPHOR AG (CH) 2022-06-01 — — EP disclosed
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors POLYPHOR AG (CH) 2019-04-30 — — US disclosed
US-20160333053-A1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS POLYPHOR AG (CH) 2016-11-17 — — US disclosed
EP-3087094-A1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS Polyphor AG (CH) 2016-11-02 — — EP disclosed
WO-2015096873-A1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS POLYPHOR AG (CH) 2015-07-02 — — 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 (2 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-20160333053-A1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS SERPINB1, ELANE, XPNPEP1 SLC7A5 1527/4885MMP2 387/4885YARS1 1743/4885
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors SERPINB1, ELANE, XPNPEP1 SLC7A5 1527/4885MMP2 387/4885YARS1 1743/4885

“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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