SCHEMBL16860710

SCHEMBL16860710

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

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.66
▸ YARS1 P54577 2/20 0.51
▸ MMP2 P08253 2/20 0.50
▸ HDAC8 Q9BY41 1/20 0.48
▸ ERAP2 Q6P179 1/20 0.48
▸ LNPEP Q9UIQ6 1/20 0.48
▸ ALPI P09923 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ XIAP P98170 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
SCHEMBL6274018 0.85 ANPEP (0.57) SLC7A5MMP2
SCHEMBL16860736 0.85 SLC7A5 (0.70) SLC7A5YARS1MMP2ERAP2LNPEP
SCHEMBL16116048 0.84 SLC7A5 (0.58) SLC7A5YARS1MMP2HDAC8ERAP2
SCHEMBL28035872 0.84 SLC7A5 (0.58) SLC7A5YARS1MMP2HDAC8ERAP2
SCHEMBL7377689 0.83 SLC7A5 (0.57) SLC7A5YARS1MMP2HDAC8ERAP2
Hydrochloric Acid SCHEMBL6299983 0.83 SLC7A5 (0.57) SLC7A5MMP2HDAC8
SCHEMBL21919162 0.83 SLC7A5 (0.57) SLC7A5MMP2HDAC8
SCHEMBL20865641 0.83 HDAC8 (0.64) SLC7A5MMP2HDAC8
SCHEMBL7377691 0.83 SLC7A5 (0.57) SLC7A5YARS1MMP2HDAC8ERAP2
Hydrochloric Acid SCHEMBL20854816 0.82 HDAC8 (0.67) SLC7A5MMP2HDAC8

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 1527/4885YARS1 1743/4885MMP2 387/4885
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors SERPINB1, ELANE, XPNPEP1 SLC7A5 1527/4885YARS1 1743/4885MMP2 387/4885

“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.

Send feedback