SCHEMBL712558

SCHEMBL712558

C=CCC(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.50
ACE P12821 2/20 0.49
PIN1 Q13526 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTPN1 P18031 2/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
CTSL P07711 1/20 0.47
CTRB1 P17538 1/20 0.46
SLC1A2 P43004 1/20 0.46
IDO1 P14902 1/20 0.46
CA2 P00918 4/20 0.46
CA1 P00915 2/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
POLB P06746 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
SCHEMBL12877478 1.00 FOLH1 (0.50) FOLH1ACEPIN1CYP2C19PTPN1
SCHEMBL5727358 0.87 ALDH1A1 (0.46) CYP2C19ALDH1A1LMNAHPGDCTSL
SCHEMBL714529 0.84 TAS1R3 (0.54) ALDH1A1LMNACTSL
SCHEMBL8232716 0.84 TAS1R3 (0.54) ALDH1A1LMNACTSL
SCHEMBL2782642 0.84 TAS1R3 (0.54) ALDH1A1LMNACTSL
SCHEMBL3187487 0.84 POLB (0.49) FOLH1PIN1CYP2C19ALDH1A1LMNA
SCHEMBL5761847 0.82 PKM (0.57) FOLH1PTPN1ALDH1A1LMNACTSL
SCHEMBL714183 0.81 CA2 (0.57) FOLH1ALDH1A1LMNACA2CA1
SCHEMBL11063949 0.81 ACE (0.52) ACEPTPN1ALDH1A1CTSLSLC1A2
SCHEMBL713931 0.81 ICMT (0.47) ACEPIN1CYP2C19PTPN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5082588-A Hygrometers ELLIOTT STANLEY B (US) 1992-01-21 US claimed
US-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LTD (AU) 2015-11-05 US disclosed
EP-1984384-B1 Conotoxin analogues, and methods for synthesis of intramolecular dicarba bridge containing peptides SYNGENE LTD (AU) 2015-10-21 EP disclosed
US-9102708-B2 Methods for the synthesis of dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2015-08-11 US disclosed
US-8759480-B2 Contoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides SYNGENE LIMITED (AU) 2014-06-24 US disclosed
EP-1984386-B1 Methods for the synthesis of two or more dicarba bridges in organic compounds SYNGENE LTD (AU) 2013-10-09 EP disclosed
US-8552133-B2 Controlled polymerisation process SYNGENE LIMITED (AU) 2013-10-08 US disclosed
US-20130123463-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LIMITED (AU) 2013-05-16 US disclosed
EP-2576588-A1 METHODS FOR THE SYNTHESIS OF ALKYNE-CONTAINING DICARBA BRIDGES IN PEPTIDES Syngene Limited (AU) 2013-04-10 EP disclosed
US-8362204-B2 Methods for the synthesis of two or more dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2013-01-29 US disclosed
US-7538190-B2 Methods for the synthesis of two or more dicarba bridges in organic compounds POLYCHIP PHARMACEUTICALS PTY LTD (AU) 2009-05-26 US disclosed
WO-2009009839-A1 CONTROLLED POLYMERISATION PROCESS MONASH UNIVERSITY (AU) 2009-01-22 WO disclosed
EP-1984385-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2008-10-29 EP disclosed
EP-1984384-A1 CONOTOXIN ANALOGUES, AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE CONTAINING PEPTIDES Monash University (AU) 2008-10-29 EP disclosed
EP-1984386-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS Monash University (AU) 2008-10-29 EP disclosed
WO-2007093012-A1 CONOTOXIN ANALOGUES, AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE CONTAINING PEPTIDES MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed
US-20070197771-A1 Methods for the synthesis of two or more dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2007-08-23 US disclosed
WO-2007093013-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed
WO-2007093014-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides SYNGENE LIMITED (AU) 2007-08-23 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 (4 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-20130123463-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS OTC, NBAS, IDH2 FOLH1 2303/4885ACE 1965/4885PIN1 201/4885
US-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS DCLRE1A, RNF168, MTCL3 FOLH1 2281/4885ACE 2384/4885PIN1 51/4885
US-20070197771-A1 Methods for the synthesis of two or more dicarba bridges in organic compounds OTC, NBAS, IDH2 FOLH1 2303/4885ACE 1965/4885PIN1 201/4885
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides VIP, NRDC, INHA FOLH1 1270/4885ACE 2555/4885PIN1 520/4885

“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.