SCHEMBL289004

SCHEMBL289004

CCC[C@@H](N)CCC(O)=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ANPEP P15144 3/20 0.35
ENPEP Q07075 3/20 0.35
METAP1 P53582 2/20 0.34
S1PR2 O95136 6/20 0.34
S1PR1 P21453 6/20 0.34
S1PR3 Q99500 6/20 0.34
GRIK1 P39086 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
GRIK2 Q13002 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL1899561 1.00 ALDH1A1 (0.48) ALDH1A1ANPEPENPEPMETAP1S1PR2
SCHEMBL288269 0.86 ALDH1A1 (0.46) ALDH1A1ANPEPENPEPS1PR2S1PR1
SCHEMBL289173 0.78
SCHEMBL1663760 0.76 ALDH1A1 (0.70) ALDH1A1ANPEPENPEPS1PR2S1PR1
SCHEMBL284709 0.76
SCHEMBL17024432 0.73 TSHR (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL18612860 0.73
SCHEMBL636967 0.73
SCHEMBL28803333 0.73 ALDH1A1 (0.46) ALDH1A1METAP1S1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL6263417 0.73

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 86 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
US-20260144888-A1 USE OF A LIQUID AQUEOUS COMPOSITION FOR SOLUBILIZATION AND STABILIZATION OF AN ANTIBODY-DRUG CONJUGATE PIERRE FABRE MEDICAMENT (FR) 2026-05-28 US disclosed
EP-3697208-B1 HIGH-FIDELITY LONG-TERM STORAGE OF BIOLOGICAL MATERIAL CENTRE NAT RECH SCIENT (FR) 2026-04-22 EP disclosed
EP-4687443-A1 METHOD FOR FUNCTIONALISING A SOLID SUBSTRATE WITH A PEPTIDE CONJUGATE Genepep (FR) 2026-02-11 EP disclosed
US-20110152464-A1 PIPECOLIC LINKER AND ITS USE FOR CHEMISTRY ON SOLID SUPPORT UNIVERSITE DE MONTPELLIER I (FR) 2011-06-23 US disclosed
EP-2270025-A1 Solid phase peptide synthesis of peptide alcohols Centre National pour la Recherche Scientifique (CNRS) (FR) 2011-01-05 EP disclosed
WO-2010127704-A1 BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2010-11-11 WO disclosed
US-20080249030-A1 Age Inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-10-09 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 (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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A ALDH1A1 4268/4885ANPEP 3698/4885ENPEP 3852/4885
US-20260144888-A1 USE OF A LIQUID AQUEOUS COMPOSITION FOR SOLUBILIZATION AND STABILIZATION OF AN ANTIBODY-DRUG CONJUGATE IGF1R, CD44, MUC1 ALDH1A1 3043/4885ANPEP 3287/4885ENPEP 3901/4885
US-20110152464-A1 PIPECOLIC LINKER AND ITS USE FOR CHEMISTRY ON SOLID SUPPORT PRRC2C, VIP, PRRC2A ALDH1A1 4427/4885ANPEP 253/4885ENPEP 276/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS ALDH1A1 4415/4885ANPEP 220/4885ENPEP 203/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 ALDH1A1 4142/4885ANPEP 3835/4885ENPEP 4470/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS ALDH1A1 4415/4885ANPEP 220/4885ENPEP 203/4885
US-20080249030-A1 Age Inhibitors CFH, XPA, XPNPEP1 ALDH1A1 1656/4885ANPEP 506/4885ENPEP 1064/4885

“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.