SCHEMBL483714

SCHEMBL483714

COC(=O)[C@H](CCC(=O)c1cccc(OCc2ccccc2)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.50
CTSK P43235 2/20 0.50
GPR132 Q9UNW8 2/20 0.48
MAOB P27338 1/20 0.48
NR4A2 P43354 2/20 0.47
SMPD1 P17405 1/20 0.47
KLK5 Q9Y337 1/20 0.46
LTA4H P09960 1/20 0.46
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
CTSS P25774 2/20 0.46
ACE P12821 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
YAP1 P46937 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
SCHEMBL2834205 0.92 GPR132 (0.55) PTPN1CTSKGPR132MAOBNR4A2
SCHEMBL483762 0.89 EGFR (0.50) PTPN1CTSKKLK5LTA4HPPARA
SCHEMBL311817 0.89 EGFR (0.50) PTPN1CTSKKLK5LTA4HPPARA
SCHEMBL22546606 0.89 EGFR (0.50) PTPN1CTSKKLK5LTA4HPPARA
SCHEMBL20117226 0.84 JAK3 (0.53) CTSKKLK5PPARAPPARGCTSS
SCHEMBL22362633 0.84 LTA4H (0.53) PTPN1CTSKMAOBLTA4HPPARA
SCHEMBL20876893 0.84 LTA4H (0.53) PTPN1CTSKMAOBLTA4HPPARA
SCHEMBL2353801 0.84 KLK5 (0.59) PTPN1CTSKGPR132KLK5PPARA
SCHEMBL2353808 0.84 KLK5 (0.59) PTPN1CTSKGPR132KLK5PPARA
SCHEMBL28514045 0.83 EGFR (0.50) PTPN1CTSKMAOBKLK5LTA4H

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-7855218-B2 (5R)-5-(4-{[(2-fluorophenyl)methyl]oxy}phenyl)-L-prolinamide; depression or a mood disorder ; modulation of use-dependent voltage-gated sodium channels Convergence Pharmaceuticals Limited (GB) 2010-12-21 US disclosed
US-7855218-B2 (5R)-5-(4-{[(2-fluorophenyl)methyl]oxy}phenyl)-L-prolinamide; depression or a mood disorder ; modulation of use-dependent voltage-gated sodium channels Convergence Pharmaceuticals Limited (GB) 2010-12-21 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
EP-1943216-B1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LTD (GB) 2010-06-30 EP disclosed
US-20080306122-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-12-11 US disclosed
US-20080306122-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-12-11 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US disclosed
WO-2007042240-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed
WO-2007042250-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2007-04-19 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 (3 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-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 PTPN1 4616/4885CTSK 396/4885GPR132 302/4885
US-20080306122-A1 Novel Compounds CYP11B1, CYP11B2, CYP46A1 PTPN1 4356/4885CTSK 403/4885GPR132 454/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B PTPN1 1434/4885CTSK 3624/4885GPR132 439/4885

“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.