Sugi Predict

Sugi Predict / Compounds / SCHEMBL288471

SCHEMBL288471

SCHEMBL288471

NC(=O)NCCC[C@H](N)CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ ENPEP Q07075 4/20 0.37
▸ OTC P00480 1/20 0.37
▸ C3AR1 Q16581 1/20 0.36
▸ DDAH1 O94760 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ DPP7 Q9UHL4 2/20 0.33
▸ ARG1 P05089 1/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ITGB3 P05106 2/20 0.32
▸ ITGA2B P08514 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ANPEP P15144 1/20 0.31

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
SCHEMBL4268944 0.88 S1PR2 (0.36) S1PR2S1PR1ENPEPLTA4HANPEP
SCHEMBL7763876 0.86 DPP7 (0.38) ENPEPOTCC3AR1DDAH1ALDH1A1
SCHEMBL7250717 0.85 ALOX15 (0.38) S1PR2S1PR1ENPEPOTCDDAH1
SCHEMBL7250716 0.85 ALOX15 (0.38) S1PR2S1PR1ENPEPOTCDDAH1
SCHEMBL289167 0.85 ALOX15 (0.38) S1PR2S1PR1ENPEPOTCDDAH1
SCHEMBL14124849 0.83 ADRA1A (0.48) S1PR2S1PR1ENPEPOTCALDH1A1
SCHEMBL6673903 0.83 ADRA1A (0.48) S1PR2S1PR1ENPEPOTCALDH1A1
SCHEMBL31295287 0.83 ADRA1A (0.48) S1PR2S1PR1ENPEPOTCALDH1A1
SCHEMBL289389 0.83 ENPEP (0.50) S1PR2S1PR1ENPEPALDH1A1MEN1
L-Citrulline SCHEMBL9056465 0.80 OTC (0.51) OTCDDAH1ARG1MEN1KMT2A

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 — — US claimed
EP-2836485-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2018-01-10 — — EP claimed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 — — US claimed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 — — EP claimed
US-9512139-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2016-12-06 — — US claimed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 — — US claimed
EP-2836485-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2015-02-18 — — EP claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 — — EP claimed
WO-2013139697-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2013-09-26 — — WO claimed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 — — US claimed
EP-2499148-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2012-09-19 — — EP claimed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 — — US claimed
WO-2011014973-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2011-02-10 — — WO claimed
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-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 — — US disclosed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 — — US disclosed
US-20120135942-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2012-05-31 — — US disclosed
EP-2427476-A1 BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY Polyphor Ag (CH) 2012-03-14 — — EP disclosed
WO-2010127704-A1 BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2010-11-11 — — 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 (6 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-20120135942-A1 BETA-HAIRPIN PEPTIDOMIMETICS CXCR4, CXCL12, CXCR6 S1PR2 2272/4885S1PR1 1664/4885ENPEP 280/4885
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A S1PR2 433/4885S1PR1 630/4885ENPEP 3852/4885
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors SERPINB1, ELANE, XPNPEP1 S1PR2 4730/4885S1PR1 4596/4885ENPEP 77/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS S1PR2 1491/4885S1PR1 922/4885ENPEP 203/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 S1PR2 655/4885S1PR1 507/4885ENPEP 4470/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS S1PR2 1491/4885S1PR1 922/4885ENPEP 203/4885

“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.