SCHEMBL288670

SCHEMBL288670

N[C@H](CCC(=O)O)Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
ANPEP P15144 5/20 0.47
ENPEP Q07075 5/20 0.47
MME P08473 1/20 0.47
S1PR2 O95136 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
HTT P42858 1/20 0.46
FOLH1 Q04609 2/20 0.45
CPA3 P15088 1/20 0.45
DPP4 P27487 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
SLC15A1 P46059 1/20 0.44
CPA1 P15085 1/20 0.43

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
SCHEMBL27999570 0.84 ANPEP (0.49) FFAR1ANPEPENPEPMMES1PR2
SCHEMBL29074770 0.84 SLC7A5 (0.58) ANPEPENPEPS1PR2S1PR1S1PR3
SCHEMBL932261 0.84 SLC7A5 (0.58) ANPEPENPEPS1PR2S1PR1S1PR3
SCHEMBL288170 0.84 SLC7A5 (0.58) ANPEPENPEPS1PR2S1PR1S1PR3
SCHEMBL288374 0.84 ANPEP (0.49) FFAR1ANPEPENPEPMMES1PR2
SCHEMBL288473 0.84 CPA3 (0.62) FFAR1ANPEPENPEPCPA3SLC15A1
SCHEMBL5767750 0.84 CPA3 (0.62) FFAR1ANPEPENPEPCPA3SLC15A1
SCHEMBL157500 0.84 CPA3 (0.62) FFAR1ANPEPENPEPCPA3SLC15A1
SCHEMBL11389051 0.83 SLC6A4 (0.60) FFAR1ANPEPENPEPMMES1PR2
SCHEMBL288923 0.83 SLC6A4 (0.60) FFAR1ANPEPENPEPMMES1PR2

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 29 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
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
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
EP-2836485-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2018-01-10 EP disclosed
US-8865656-B2 Beta-hairpin peptidomimetics having CXCR4 antagonizing activity POLYPHOR AG (CH) 2014-10-21 US disclosed
WO-2013139697-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2013-09-26 WO 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 (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-20120135942-A1 BETA-HAIRPIN PEPTIDOMIMETICS CXCR4, CXCL12, CXCR6 FFAR1 2878/4885ANPEP 115/4885ENPEP 280/4885
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors SERPINB1, ELANE, XPNPEP1 FFAR1 4652/4885ANPEP 61/4885ENPEP 77/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS FFAR1 310/4885ANPEP 220/4885ENPEP 203/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 FFAR1 265/4885ANPEP 3835/4885ENPEP 4470/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS FFAR1 310/4885ANPEP 220/4885ENPEP 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.