Sugi Predict

Sugi Predict / Compounds / SCHEMBL288883

SCHEMBL288883

SCHEMBL288883

CCCC[C@H](N)CC(O)=S

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC1A2 P43004 2/20 0.38
▸ SLC1A1 P43005 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SLC1A3 P43003 1/20 0.38
▸ S1PR2 O95136 6/20 0.38
▸ S1PR1 P21453 6/20 0.38
▸ S1PR3 Q99500 5/20 0.37
▸ S1PR4 O95977 4/20 0.37
▸ PLA2G1B P04054 1/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ CA2 P00918 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ SPHK1 Q9NYA1 1/20 0.34
▸ GRIK1 P39086 1/20 0.33
▸ GRIK2 Q13002 1/20 0.33

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
SCHEMBL289173 0.86 — —
SCHEMBL288269 0.80 ALDH1A1 (0.46) SLC1A2SLC1A1ALDH1A1SLC1A3S1PR2
SCHEMBL6466558 0.77 S1PR2 (0.57) SLC1A2SLC1A1ALDH1A1SLC1A3S1PR2
SCHEMBL27284540 0.77 CA1 (0.39) SLC1A2SLC1A1ALDH1A1SLC1A3S1PR2
SCHEMBL288356 0.77 S1PR2 (0.57) SLC1A2SLC1A1ALDH1A1SLC1A3S1PR2
SCHEMBL5496400 0.77 S1PR2 (0.57) SLC1A2SLC1A1ALDH1A1SLC1A3S1PR2
SCHEMBL27557484 0.74 GPR84 (0.52) ALDH1A1CA2MAPK1
SCHEMBL272998 0.74 OPRM1 (0.50) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL7860013 0.73 CA2 (0.48) SLC1A2SLC1A1ALDH1A1SLC1A3S1PR2
SCHEMBL6874674 0.73 CA2 (0.43) SLC1A2SLC1A1ALDH1A1SLC1A3S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 — — US 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
EP-2836485-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2018-01-10 — — EP disclosed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 — — US disclosed
WO-2013139697-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2013-09-26 — — WO disclosed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 — — 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 SLC1A2 2331/4885SLC1A1 1904/4885ALDH1A1 3553/4885
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A SLC1A2 1491/4885SLC1A1 2314/4885ALDH1A1 4268/4885
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors SERPINB1, ELANE, XPNPEP1 SLC1A2 3434/4885SLC1A1 2889/4885ALDH1A1 4577/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS SLC1A2 2178/4885SLC1A1 1137/4885ALDH1A1 4415/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 SLC1A2 1260/4885SLC1A1 880/4885ALDH1A1 4142/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS SLC1A2 2178/4885SLC1A1 1137/4885ALDH1A1 4415/4885

“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.