SCHEMBL288680

SCHEMBL288680

N[C@@H](CCc1ccccc1)CC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.64
S1PR1 P21453 2/20 0.64
DPP4 P27487 2/20 0.55
ANPEP P15144 2/20 0.53
ERAP1 Q9NZ08 2/20 0.53
ERAP2 Q6P179 1/20 0.53
MMP12 P39900 2/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP13 P45452 1/20 0.53
MMP14 P50281 1/20 0.53
KEAP1 Q14145 1/20 0.50
CPA1 P15085 2/20 0.47
CPB1 P15086 1/20 0.47
CPA3 P15088 1/20 0.47
CPB2 Q96IY4 1/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 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
SCHEMBL45498 1.00 S1PR2 (0.64) S1PR2S1PR1DPP4ANPEPERAP1
SCHEMBL2029005 1.00 S1PR2 (0.64) S1PR2S1PR1DPP4ANPEPERAP1
Hydrochloric Acid SCHEMBL1927328 0.98 S1PR2 (0.62) S1PR2S1PR1DPP4ANPEPERAP1
SCHEMBL27453353 0.89 S1PR2 (0.60) S1PR2S1PR1ANPEPERAP1ERAP2
SCHEMBL1669596 0.89 S1PR2 (0.60) S1PR2S1PR1ANPEPERAP1ERAP2
SCHEMBL6049800 0.87 S1PR2 (0.63) S1PR2S1PR1DPP4MMP12MMP2
SCHEMBL1105478 0.85 ALDH1A1 (0.53) S1PR2S1PR1DPP4ANPEPERAP1
SCHEMBL27999568 0.85 S1PR2 (0.65) S1PR2S1PR1DPP4ANPEPERAP1
SCHEMBL289093 0.85 S1PR2 (0.65) S1PR2S1PR1DPP4ANPEPERAP1
SCHEMBL6467442 0.84 S1PR2 (0.63) S1PR2S1PR1DPP4MMP12MMP2

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 292 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
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 US claimed
US-20250367300-A1 Nanomaterial and Methods of Use Thereof UNIVERSITY OF CONNECTICUT (US) 2025-12-04 US disclosed
US-20250302971-A1 Therapeutic Nanomaterials UNIV CONNECTICUT (US) 2025-10-02 US disclosed
US-20250229081-A1 NANOMATERIAL COATED ELECTRODE AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT 2025-07-17 US disclosed
EP-4578867-A1 CYCLIC PEPTIDE OR SALT THEREOF AND MDMX INHIBITOR FUJIFILM Corporation (JP) 2025-07-02 EP disclosed
EP-1763509-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-03-21 EP disclosed
EP-1646718-A2 METHODS FOR THE STEREOSELECTIVE SYNTHESIS AND ENANTIOMERIC ENRICHMENT OF B-AMINO ACIDS Pharmacia Corporation (US) 2006-04-19 EP disclosed
WO-2006002474-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2006-01-12 WO disclosed
WO-2005005633-A2 METHODS FOR THE STEREOSELECTIVE SYNTHESIS AND ENANTIOMERIC ENRICHMENT OF B-AMINO ACIDS PHARMACIA CORPORATION (US) 2005-01-20 WO disclosed
US-20050009151-A1 Methods for the stereospecific and enantiomeric enrichment of beta-amino acids PHARMACIA CORPORATION 2005-01-13 US 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-20250302971-A1 Therapeutic Nanomaterials TIE1, TEKT1, POLRMT S1PR2 2052/4885S1PR1 1863/4885DPP4 1357/4885
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A S1PR2 433/4885S1PR1 630/4885DPP4 3664/4885
US-20250367300-A1 Nanomaterial and Methods of Use Thereof EPCAM, CD47, JAK2 S1PR2 2844/4885S1PR1 2366/4885DPP4 1271/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS S1PR2 1491/4885S1PR1 922/4885DPP4 1236/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 S1PR2 655/4885S1PR1 507/4885DPP4 2497/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS S1PR2 1491/4885S1PR1 922/4885DPP4 1236/4885

“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.