SCHEMBL1920941

SCHEMBL1920941

C[C@H](N)C(=O)OC(=O)[C@@H](N)CCCCN.C[C@H](N)C(=O)Oc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.55
ITGA2B P08514 4/20 0.55
THRB P10828 1/20 0.44
PTPN1 P18031 1/20 0.42
GSR P00390 1/20 0.41
SLC7A5 Q01650 3/20 0.41
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
MMP2 P08253 1/20 0.39
LNPEP Q9UIQ6 1/20 0.38
LTA4H P09960 1/20 0.38
TPH1 P17752 3/20 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
Lysine SCHEMBL1921517 0.93 ITGB3 (0.60) ITGB3ITGA2BTHRBPTPN1GSR
Tyrosine SCHEMBL3121863 0.89 SLC7A5 (0.56) ITGB3ITGA2BTHRBGSRSLC7A5
SCHEMBL571283 0.88 ITGB3 (0.65) ITGB3ITGA2BTHRBPTPN1GSR
Lysine SCHEMBL1921682 0.88 ITGB3 (0.54) ITGB3ITGA2BTHRBPTPN1GSR
Tyrosine SCHEMBL1921852 0.88 SLC7A5 (0.55) ITGB3ITGA2BTHRBGSRSLC7A5
Leucine SCHEMBL4586599 0.85 ITGB3 (0.56) ITGB3ITGA2BTHRBPTPN1GSR
Lysine SCHEMBL4198912 0.85 ITGB3 (0.53) ITGB3ITGA2BTHRBPTPN1GSR
SCHEMBL4629444 0.84 SLC7A5 (0.56) ITGB3ITGA2BTHRBPTPN1SLC7A5
SCHEMBL9937712 0.84 SLC7A5 (0.56) ITGB3ITGA2BTHRBPTPN1SLC7A5
Lysine SCHEMBL5358311 0.84 ITGB3 (0.52) ITGB3ITGA2BTHRBPTPN1GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4800481-B2 2011-10-26 JP claimed
US-20100298227-A1 Treatment of autoimmune conditions with Copolymer 1 and related copolymers President and Fellows of Harvard College and Yeda Research 2010-11-25 US claimed
US-20080207526-A1 Synthetic peptides and methods of use for autoimmune disease therapies PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-08-28 US claimed
EP-1098902-A4 TREATMENT OF AUTOIMMUNE CONDITIONS WITH COPOLYMER 1 AND RELATED COPOLYMERS AND PEPTIDES YEDA RES & DEV (IL) 2002-07-24 EP claimed
EP-1105414-A2 SYNTHETIC PEPTIDES AND METHODS OF USE FOR AUTOIMMUNE DISEASE THERAPIES President And Fellows of Harvard College (US) 2001-06-13 EP claimed
EP-1098902-A1 TREATMENT OF AUTOIMMUNE CONDITIONS WITH COPOLYMER 1 AND RELATED COPOLYMERS AND PEPTIDES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2001-05-16 EP claimed
WO-2000005250-A9 TREATMENT OF AUTOIMMUNE CONDITIONS WITH COPOLYMER 1 AND RELATED COPOLYMERS AND PEPTIDES YEDA RES & DEV (IL) 2000-10-12 WO claimed
WO-2000005250-A1 TREATMENT OF AUTOIMMUNE CONDITIONS WITH COPOLYMER 1 AND RELATED COPOLYMERS AND PEPTIDES YEDA RESEARCH AND DEVELOPMENT CO., LTD (IL) 2000-02-03 WO claimed
WO-2000005249-A2 SYNTHETIC PEPTIDES AND METHODS OF USE FOR AUTOIMMUNE DISEASE THERAPIES THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-03 WO claimed
US-9066905-B2 Synthetic peptides and methods of use for autoimmune disease therapies PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-06-30 US disclosed
EP-2848627-A2 Treatment of autoimmune conditions with copolymer 1 and related copolymers and peptides YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2015-03-18 EP disclosed
EP-2327712-A2 Treatment of autoimmune conditions with copolymer 1 and related copolymers and peptides YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2011-06-01 EP disclosed
US-7566767-B2 Synthetic peptides and methods of use for autoimmune disease therapies PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-07-28 US disclosed
US-20080207526-A1 Synthetic peptides and methods of use for autoimmune disease therapies PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-08-28 US disclosed
US-20040006022-A1 Synthetic peptides and methods of use for autoimmune disease therapies PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2004-01-08 US disclosed
EP-1105414-A2 SYNTHETIC PEPTIDES AND METHODS OF USE FOR AUTOIMMUNE DISEASE THERAPIES President And Fellows of Harvard College (US) 2001-06-13 EP disclosed
WO-2000005249-A2 SYNTHETIC PEPTIDES AND METHODS OF USE FOR AUTOIMMUNE DISEASE THERAPIES THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-03 WO disclosed