SCHEMBL16860752

SCHEMBL16860752

CCCCC(=O)NCCC[C@H](N)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 8/20 0.67
▸ OTC P00480 1/20 0.58
▸ DDAH1 O94760 2/20 0.53
▸ DPP7 Q9UHL4 2/20 0.51
▸ CASP2 P42575 1/20 0.49
▸ FAAH O00519 1/20 0.47
▸ NOS1 P29475 1/20 0.46
▸ NAAA Q02083 1/20 0.46
▸ GNAI3 P08754 1/20 0.45
▸ GNAO1 P09471 1/20 0.45
▸ GNAI1 P63096 1/20 0.45

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
SCHEMBL16860722 1.00 NOD1 (0.67) NOD1OTCDDAH1DPP7CASP2
SCHEMBL16860753 0.95 NOD1 (0.73) NOD1OTCDPP7CASP2FAAH
SCHEMBL16860725 0.95 NOD1 (0.73) NOD1OTCDPP7CASP2FAAH
SCHEMBL27455405 0.95 NOD1 (0.65) NOD1OTCDDAH1DPP7CASP2
SCHEMBL16860754 0.94 NOD1 (0.76) NOD1OTCDPP7CASP2FAAH
SCHEMBL5946298 0.94 NOD1 (0.76) NOD1OTCDPP7CASP2FAAH
SCHEMBL9964251 0.94 NOD1 (0.76) NOD1OTCDPP7CASP2FAAH
SCHEMBL16860689 0.94 NOD1 (0.76) NOD1OTCDPP7CASP2FAAH
SCHEMBL16860739 0.94 NOD1 (0.76) NOD1OTCDPP7CASP2FAAH
SCHEMBL24339814 0.93 NOD1 (0.71) NOD1OTCDDAH1DPP7CASP2

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 NOD1 904/4885OTC 4684/4885DDAH1 1016/4885
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors SERPINB1, ELANE, XPNPEP1 NOD1 904/4885OTC 4684/4885DDAH1 1016/4885

“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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