SCHEMBL583792

SCHEMBL583792

N[C@H](C(=O)O)C(Cl)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
USP2 O75604 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
SLC7A5 Q01650 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.38
GABRR1 P24046 2/20 0.37
LMNA P02545 2/20 0.37
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
GRM8 O00222 1/20 0.36
GRM6 O15303 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36

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
SCHEMBL583793 1.00 SMN1; SMN2 (0.46) SMN1; SMN2MEN1CYP2D6CYP2C9CYP2C19
SCHEMBL7820321 0.78 SLC22A6 (0.50) SMN1; SMN2TDP1SLC22A6GABRR1LMNA
SCHEMBL3874518 0.77
SCHEMBL31527767 0.77 USP2 (0.48) SMN1; SMN2MEN1CYP2D6CYP2C9CYP2C19
SCHEMBL300199 0.77 USP2 (0.48) SMN1; SMN2MEN1CYP2D6CYP2C9CYP2C19
SCHEMBL13497176 0.77 USP2 (0.48) SMN1; SMN2MEN1CYP2D6CYP2C9CYP2C19
SCHEMBL300200 0.77 USP2 (0.48) SMN1; SMN2MEN1CYP2D6CYP2C9CYP2C19
SCHEMBL28410409 0.77 USP2 (0.48) SMN1; SMN2MEN1CYP2D6CYP2C9CYP2C19
SCHEMBL7024309 0.75
SCHEMBL2961393 0.74 TDP1 (0.46) SMN1; SMN2TDP1SLC22A6GABRR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225272-B1 PEPTIDES DERIVED FROM NCAM (FGLS) ENKAM PHARMACEUTICALS AS (DK) 2015-10-21 EP disclosed
US-8470964-B2 Peptides derived from NCAM (FGLs) ENKAM PHARMACEUTICALS A/S (DK) 2013-06-25 US disclosed
EP-1765861-B1 FGFR BINDING PEPTIDES ENKAM PHARMACEUTICALS AS (DK) 2012-02-15 EP disclosed
US-20110098225-A1 NOVEL PEPTIDES DERIVED FROM NCAM (FGLs) COPENHAGEN UNIVERSITY 2011-04-28 US disclosed
EP-2225272-A2 NOVEL PEPTIDES DERIVED FROM NCAM (FGLS) Enkam Pharmaceuticals A/S (DK) 2010-09-08 EP disclosed
EP-1660539-B1 COMPOUNDS COMPRISING LPA ENKAM PHARMACEUTICALS AS (DK) 2010-06-02 EP disclosed
WO-2009068042-A2 NOVEL PEPTIDES DERIVED FROM NCAM (FGLS) ENKAM PHARMACEUTICALS A/S (DK) 2009-06-04 WO disclosed
US-20090105149-A1 Compounds comprising lpa ENKAM PHARMACEUTICALS A/S (DK) 2009-04-23 US disclosed
US-20090074774-A1 Fgfr binding peptides ENKAM PHARMACEUTICALS A/S (DK) 2009-03-19 US disclosed
US-20080226639-A1 Heparin Binding Peptide ENKAN PHARMACEUTICALS A/S (DK) 2008-09-18 US disclosed
WO-2005014623-A9 COMPOUNDS COMPRISING LPA 2006-03-23 WO disclosed
WO-2005123759-A2 FGFR BINDING PEPTIDES ENKAM PHARMACEUTICALS A/S (DK) 2005-12-29 WO disclosed
WO-2005121168-A2 HEPARIN BINDING PEPTIDE ENKAM PHARMACEUTICALS A/S (DK) 2005-12-22 WO disclosed
EP-1573000-A2 CRYSTAL STRUCTURE OF GLUTAMATE RACEMASE (MURI) AstraZeneca AB (SE) 2005-09-14 EP disclosed
WO-2005014623-A2 COMPOUNDS COMPRISING LPA ENKAM PHARMACEUTICALS A/S (DK) 2005-02-17 WO disclosed
US-20050037478-A1 Crystal structure of glutamate racemase (MurI) ASTRAZENECA AB (SE) 2005-02-17 US disclosed
WO-2004061097-A2 CRYSTAL STRUCTURE OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2004-07-22 WO disclosed
US-5041644-A Bactericides MERCK & CO., INC. (US) 1991-08-20 US disclosed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP disclosed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP 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-20090105149-A1 Compounds comprising lpa FGFR1, FGFR3, FGFR2 SMN1; SMN2 1845/4885MEN1 3282/4885CYP2D6 4827/4885
US-20110098225-A1 NOVEL PEPTIDES DERIVED FROM NCAM (FGLs) L1CAM, FGFR1, FGFR3 SMN1; SMN2 465/4885MEN1 2643/4885CYP2D6 4860/4885

“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.