SCHEMBL585109

SCHEMBL585109

O=C(O)C=CCNCC=CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
GABRR1 P24046 2/20 0.50
GABRR2 P28476 2/20 0.50
BLM P54132 2/20 0.50
LMNA P02545 2/20 0.50
GABRR3 A8MPY1 1/20 0.50
APEX1 P27695 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44
HCAR2 Q8TDS4 2/20 0.36
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35

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
SCHEMBL585108 1.00 TSHR (0.50) TSHRGABRR1GABRR2BLMLMNA
SCHEMBL23482726 0.85
SCHEMBL8520637 0.85 TSHR (0.42) TSHRGABRR1GABRR2BLMLMNA
SCHEMBL4291258 0.85
SCHEMBL8530023 0.84 TSHR (0.38) TSHRGABRR1GABRR2BLMLMNA
SCHEMBL8084261 0.84 TSHR (0.38) TSHRGABRR1GABRR2BLMLMNA
SCHEMBL8084257 0.84 TSHR (0.38) TSHRGABRR1GABRR2BLMLMNA
SCHEMBL25599316 0.83 TSHR (0.41) TSHRGABRR1GABRR2BLMLMNA
SCHEMBL8091033 0.82 CNR2 (0.38) TSHRGABRR1GABRR2BLMLMNA
SCHEMBL8091035 0.82 CNR2 (0.38) TSHRGABRR1GABRR2BLMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040086949-A1 Method for preparing a ligand presenting assembly (LPA), an LPA and uses thereof STATENS SERUM INSTITUT 2004-05-06 US claimed
EP-1117677-B1 LIGAND PRESENTING ASSEMBLY (LPA), METHOD OF PREPARATION AND USES THEREOF STATENS SERUMINSTITUT (DK) 2003-11-12 EP claimed
EP-1117677-A1 LIGAND PRESENTING ASSEMBLY (LPA), METHOD OF PREPARATION AND USES THEREOF Statens Serum Institut (DK) 2001-07-25 EP claimed
WO-2000018791-A1 LIGAND PRESENTING ASSEMBLY (LPA), METHOD OF PREPARATION AND USES THEREOF STATENS SERUM INSTITUT (DK) 2000-04-06 WO claimed
JP-11148089-A None JP disclosed
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
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
WO-2005014623-A2 COMPOUNDS COMPRISING LPA ENKAM PHARMACEUTICALS A/S (DK) 2005-02-17 WO disclosed
US-20040086949-A1 Method for preparing a ligand presenting assembly (LPA), an LPA and uses thereof STATENS SERUM INSTITUT 2004-05-06 US disclosed
EP-1117677-B1 LIGAND PRESENTING ASSEMBLY (LPA), METHOD OF PREPARATION AND USES THEREOF STATENS SERUMINSTITUT (DK) 2003-11-12 EP disclosed
EP-1117677-A1 LIGAND PRESENTING ASSEMBLY (LPA), METHOD OF PREPARATION AND USES THEREOF Statens Serum Institut (DK) 2001-07-25 EP disclosed
WO-2000018791-A1 LIGAND PRESENTING ASSEMBLY (LPA), METHOD OF PREPARATION AND USES THEREOF STATENS SERUM INSTITUT (DK) 2000-04-06 WO disclosed
JP-H11148089-A LIQUID DETERGENT COMPOSITION LION CORP 1999-06-02 JP 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 (1 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-20110098225-A1 NOVEL PEPTIDES DERIVED FROM NCAM (FGLs) L1CAM, FGFR1, FGFR3 TSHR 1222/4885GABRR1 877/4885GABRR2 1173/4885

“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.