SCHEMBL287826

SCHEMBL287826

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 6/20 0.60
S1PR1 P21453 6/20 0.60
GPR84 Q9NQS5 7/20 0.59
ALDH1A1 P00352 1/20 0.55
S1PR3 Q99500 5/20 0.48
S1PR4 O95977 4/20 0.48
GRIK1 P39086 2/20 0.48
GRIK2 Q13002 2/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 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
SCHEMBL4411200 1.00 S1PR2 (0.60) S1PR2S1PR1GPR84ALDH1A1S1PR3
SCHEMBL626959 1.00 S1PR2 (0.60) S1PR2S1PR1GPR84ALDH1A1S1PR3
SCHEMBL5102963 0.98 S1PR2 (0.63) S1PR2S1PR1GPR84ALDH1A1S1PR3
SCHEMBL6757021 0.98 S1PR2 (0.63) S1PR2S1PR1GPR84ALDH1A1S1PR3
SCHEMBL11629828 0.98 S1PR2 (0.63) S1PR2S1PR1GPR84ALDH1A1S1PR3
SCHEMBL11437074 0.98 S1PR2 (0.63) S1PR2S1PR1GPR84ALDH1A1S1PR3
SCHEMBL5419098 0.98 S1PR2 (0.63) S1PR2S1PR1GPR84ALDH1A1S1PR3
SCHEMBL10804885 0.98 S1PR2 (0.63) S1PR2S1PR1GPR84ALDH1A1S1PR3
SCHEMBL22660994 0.98 S1PR2 (0.63) S1PR2S1PR1GPR84ALDH1A1S1PR3
SCHEMBL4390623 0.98 S1PR2 (0.63) S1PR2S1PR1GPR84ALDH1A1S1PR3

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 74 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
WO-2024029242-A1 NOVEL LRP1-BINDING PEPTIDE 一丸ファルコス株式会社 2024-02-08 WO disclosed
US-20230174582-A1 VIPR2 ANTAGONIST PEPTIDE ICHIMARU PHARCOS CO., LTD. (JP) 2023-06-08 US disclosed
EP-4137502-A1 VIPR2 ANTAGONIST PEPTIDE Ichimaru Pharcos Co., Ltd. (JP) 2023-02-22 EP disclosed
EP-1163222-A1 PROCESS OF PREPARING 3S-3-AMINO-3-ARYL PROPIONIC ACID AND DERIVATIVES THEREOF Ortho-Mcneil Pharmaceutical, Inc. (US) 2001-12-19 EP disclosed
US-6331552-B1 THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISORDERS, FOR EXAMPLE OF RHEUMATOID ARTHRITIS, OR OF ALLERGIC DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-18 US disclosed
WO-2000056715-A1 PROCESS OF PREPARING 3S-3-AMINO-3-ARYL PROPIONIC ACID AND DERIVATIVES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-09-28 WO disclosed
WO-2000056715-A1 PROCESS OF PREPARING 3S-3-AMINO-3-ARYL PROPIONIC ACID AND DERIVATIVES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-09-28 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 (5 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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A S1PR2 433/4885S1PR1 630/4885GPR84 174/4885
US-20230174582-A1 VIPR2 ANTAGONIST PEPTIDE VIPR2, NPY2R, NPY5R S1PR2 1547/4885S1PR1 2447/4885GPR84 1819/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS S1PR2 1491/4885S1PR1 922/4885GPR84 596/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 S1PR2 655/4885S1PR1 507/4885GPR84 376/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS S1PR2 1491/4885S1PR1 922/4885GPR84 596/4885

“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.