SCHEMBL288965

SCHEMBL288965

C[C@@H](Nc1nccs1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.53
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.48
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
FFAR2 O15552 1/20 0.46
AURKA O14965 1/20 0.45
PIM1 P11309 1/20 0.45
CDK2 P24941 1/20 0.45
GSK3B P49841 1/20 0.45
HSPA9 P38646 2/20 0.45
HSPA5 P11021 1/20 0.45
ADORA2A P29274 1/20 0.44
NR3C1 P04150 1/20 0.44

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
SCHEMBL43586 1.00 FDPS (0.53) FDPSLMNATSHRHSD17B10HTT
SCHEMBL43587 1.00 FDPS (0.53) FDPSLMNATSHRHSD17B10HTT
SCHEMBL14940427 0.81 CTSC (0.49) LMNATSHRHSD17B10RAB9AHSPA9
SCHEMBL577833 0.77
SCHEMBL12966147 0.76 HSPA9 (0.52) FDPSLMNATSHRHTTNPC1
SCHEMBL8701148 0.76 FDPS (0.50) FDPSLMNATSHRHSD17B10HTT
SCHEMBL8701152 0.76 FDPS (0.50) FDPSLMNATSHRHSD17B10HTT
SCHEMBL4455601 0.76 FDPS (0.46) FDPSLMNATSHRHTTNPC1
SCHEMBL4469605 0.76 FDPS (0.46) FDPSLMNATSHRHTTNPC1
SCHEMBL4455593 0.76 FDPS (0.46) FDPSLMNATSHRHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 US claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 EP 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-20170369523-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS THAT ARE LIGANDS FOR G-PROTEIN-COUPLED RECEPTORS (GPCRS) AND ARE MODULATORS OF TRANSCRIPTION FACTORS AND COACTIVATORS POLYPHOR AG (CH) 2017-12-28 US disclosed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 US disclosed
US-20160333053-A1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS POLYPHOR AG (CH) 2016-11-17 US disclosed
EP-3087094-A1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS Polyphor AG (CH) 2016-11-02 EP disclosed
US-9284352-B2 Beta-hairpin peptidomimetics having CXCR4 antagonizing activity POLYPHOR AG (CH) 2016-03-15 US disclosed
WO-2015096873-A1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS POLYPHOR AG (CH) 2015-07-02 WO disclosed
US-20120283196-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2012-11-08 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
US-20110230426-A1 TEMPLATE-FIXED PEPTIDOMIMETICS POLYPHOR AG (CH) 2011-09-22 US disclosed
WO-2011066869-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2011-06-09 WO disclosed
EP-2324047-A2 TEMPLATE-FIXED PEPTIDOMIMETICS Polyphor Ag (CH) 2011-05-25 EP disclosed
WO-2010127704-A1 BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2010-11-11 WO disclosed
WO-2010015287-A2 TEMPLATE-FIXED PEPTIDOMIMETICS POLYPHOR AG (CH) 2010-02-11 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 (7 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 FDPS 4076/4885LMNA 3836/4885TSHR 1872/4885
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A FDPS 924/4885LMNA 2246/4885TSHR 140/4885
US-20160333053-A1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS SERPINB1, ELANE, XPNPEP1 FDPS 3021/4885LMNA 570/4885TSHR 3985/4885
US-20120283196-A1 BETA-HAIRPIN PEPTIDOMIMETICS CXCL12, CXCR4, CXCR1 FDPS 4132/4885LMNA 2437/4885TSHR 2096/4885
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors SERPINB1, ELANE, XPNPEP1 FDPS 3021/4885LMNA 570/4885TSHR 3985/4885
US-20110230426-A1 TEMPLATE-FIXED PEPTIDOMIMETICS STAT6, NCOA1, UTS2R FDPS 3531/4885LMNA 1023/4885TSHR 1370/4885
US-20170369523-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS THAT ARE LIGANDS FOR G-PROTEIN-COUPLED RECEPTORS (GPCRS) AND ARE MODULATORS OF TRANSCRIPTION FACTORS AND COACTIVATORS NCOA1, NCOA2, NCOR1 FDPS 4000/4885LMNA 1799/4885TSHR 510/4885

“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.