SCHEMBL5856512

SCHEMBL5856512

O=C(O)CC(CC(=O)O)c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
CFTR P13569 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
GOPC Q9HD26 1/20 0.50
GABBR2 O75899 1/20 0.50
GABBR1 Q9UBS5 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
ITGB3 P05106 9/20 0.49
ITGAV P06756 9/20 0.49
ITGB1 P05556 1/20 0.48
ITGB6 P18564 1/20 0.48
ITGA2B P08514 4/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
CTSA P10619 2/20 0.47

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
SCHEMBL22775935 0.90 TBXAS1 (0.48) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL25151973 0.87 ITGB3 (0.46) TBXAS1SMN1; SMN2ITGB3ITGAVITGB1
SCHEMBL25152268 0.87 ITGB3 (0.46) TBXAS1SMN1; SMN2ITGB3ITGAVITGB1
SCHEMBL27396676 0.85 ITGB3 (0.45) TBXAS1ITGB3ITGAVITGB1ITGB6
SCHEMBL25152853 0.85 ITGB3 (0.52) TBXAS1SMN1; SMN2GABBR2GABBR1NAPRT
SCHEMBL25152816 0.85 ITGB3 (0.52) TBXAS1SMN1; SMN2GABBR2GABBR1NAPRT
SCHEMBL25152800 0.85 ITGB3 (0.52) TBXAS1SMN1; SMN2GABBR2GABBR1NAPRT
SCHEMBL3067372 0.84 SMN1; SMN2 (0.55) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL11990053 0.84 TBXAS1 (0.63) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL4459275 0.84 SMN1; SMN2 (0.55) TBXAS1SMN1; SMN2CFTRSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119098-B2 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION (US) 2006-10-10 US disclosed
US-6933304-B2 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-08-23 US disclosed
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-05-13 US disclosed
EP-1289983-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-09-19 US disclosed
WO-2001096334-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 WO disclosed
WO-1993003045-A1 PROCESS FOR PURER ORGANIC METAL ION CHELATE COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-02-18 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-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists ITGA5, ITGA2B, ITGAV TBXAS1 811/4885SMN1; SMN2 3712/4885CFTR 224/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B TBXAS1 379/4885SMN1; SMN2 4329/4885CFTR 905/4885

“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.