SCHEMBL3798112

SCHEMBL3798112

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 3/20 0.48
SLC1A1 P43005 3/20 0.48
SLC1A3 P43003 2/20 0.48
CA2 P00918 2/20 0.47
MAPK1 P28482 1/20 0.47
GRIK1 P39086 3/20 0.43
GRIK2 Q13002 3/20 0.43
GPR84 Q9NQS5 3/20 0.41
CA1 P00915 1/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
SLC7A5 Q01650 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
SLC15A1 P46059 1/20 0.39
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38

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
SCHEMBL3789476 0.94 GRIK1 (0.50) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL29684744 0.92 GPR84 (0.52) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL1162347 0.87 CHRM1 (0.46) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL15094143 0.81 RNPEP (0.52) SLC7A5HDAC1HDAC2
SCHEMBL15094144 0.81 RNPEP (0.52) SLC7A5HDAC1HDAC2
SCHEMBL31572071 0.78 SLC1A2 (0.52) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL6046246 0.78
SCHEMBL5323585 0.78
SCHEMBL19165268 0.77 SLC1A2 (0.50) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL21838063 0.77 SLC1A2 (0.50) SLC1A2SLC1A1SLC1A3CA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663276-A4 COMPOUNDS THAT MODULATE NEURONAL GROWTH AND THEIR USES WYETH CORP (US) 2009-02-18 EP claimed
CN-1849132-A Compounds that modulate neuronal growth and their uses KING S COLLEGE LONDON (GB) 2006-10-18 CN claimed
EP-1663276-A2 COMPOUNDS THAT MODULATE NEURONAL GROWTH AND THEIR USES Wyeth (US) 2006-06-07 EP claimed
WO-2005025514-A2 COMPOUNDS THAT MODULATE NEURONAL GROWTH AND THEIR USES KING'S COLLEGE LONDON (GB) 2005-03-24 WO claimed
US-20030109454-A1 Compounds and methods for modulating adhesion molecule function ADHEREX TECHNOLOGIES, INC. (CA) 2003-06-12 US claimed
US-20020193294-A1 COMPOUNDS AND METHODS FOR MODULATING CLAUDIN-MEDIATED FUNCTIONS ADHEREX TECHNOLOGIES INC. (CA) 2002-12-19 US claimed
US-6031072-A CYCLIC PEPTIDE WHICH MODULATES CADHERIN-MEDIATED PROCESSES; COMPRISING THE SEQUENCE HIS-ALA-VAL WITHIN A CYCLIC PEPTIDE RING THAT CONTAINS 4-15 AMINO ACIDS; FOR IMPROVED DRUG DELIVERY; ANTIMETASTASIS AGENTS MCGILL UNIVERSITY (CA) 2000-02-29 US claimed
WO-2018204385-A1 COMBINATION THERAPY FOR CANCER BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2018-11-08 WO disclosed
CN-105828831-A Novel peptide compositions 塔瑞克斯制药有限公司 2016-08-03 CN disclosed
CN-105451756-A Angiotensin peptides in treating marfan syndrome and related disorders TARIX PHARMACEUTICALS LTD 2016-03-30 CN disclosed
CN-104837485-A Use of angiotensin in the treatment of brain conditions TARIX PHARMACEUTICALS LTD 2015-08-12 CN disclosed
CN-104394878-A Compositions and methods for treatment of peripheral vascular disease TARIX PHARMACEUTICALS LTD 2015-03-04 CN disclosed
CN-104302305-A Angiotensins for treatment of fibrosis TARIX PHARMACEUTICALS LTD 2015-01-21 CN disclosed
CN-1849132-A Compounds that modulate neuronal growth and their uses KING S COLLEGE LONDON (GB) 2006-10-18 CN disclosed
EP-1651672-A2 CYCLIC CADHERIN ANALOGUES COMPRISING THE SEQUENCE HAV FOR MODULATING THE MIGRATION OF VASCULAR SMOOTH MUSCLE CELLS Adherex Technologies, Inc. (CA) 2006-05-03 EP disclosed
US-20060084792-A1 Versatile platform for nanotechnology based on circular permutations of chaperonin protein USA AS REPRESENTED BY THE ADMINISTRATOR OF THE NASA 2006-04-20 US disclosed
WO-2005012348-A2 CYCLIC CADHERIN ANALOGUES COMPRISING THE SEQUENCE HAV FOR MODULATING THE MIGRATION OF VASCULAR SMOOTH MUSCLE CELLS ADHEREX TECHNOLOGIES INC. (CA) 2005-02-10 WO disclosed
EP-1311545-A2 COMPOUNDS AND METHODS FOR MODULATING ENDOTHELIAL CELL ADHESION McGILL UNIVERSITY (CA) 2003-05-21 EP disclosed
WO-2001077146-A2 COMPOUNDS AND METHODS FOR MODULATING ENDOTHELIAL CELL ADHESION MCGILL UNIVERISTY (CA) 2001-10-18 WO disclosed
WO-1995000544-A1 METHOD AND COMPOSITION FOR TREATING THROMBOSIS LA JOLLA CANCER RESEARCH FOUNDATION (US) 1995-01-05 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 (2 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-20030109454-A1 Compounds and methods for modulating adhesion molecule function EPCAM, VCAM1, CDH1 SLC1A2 3265/4885SLC1A1 3295/4885SLC1A3 3150/4885
US-20020193294-A1 COMPOUNDS AND METHODS FOR MODULATING CLAUDIN-MEDIATED FUNCTIONS EPCAM, ICAM1, VCAM1 SLC1A2 305/4885SLC1A1 312/4885SLC1A3 435/4885

“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.