SCHEMBL5029939

SCHEMBL5029939

CC(C)(C)N(C(=O)O)c1ccc(C#N)s1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 3/20 0.32
GRIA4 P48058 3/20 0.32
FFAR2 O15552 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PGR P06401 1/20 0.31
RIPK1 Q13546 1/20 0.30

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
SCHEMBL5897545 0.77 PDK1 (0.33) GRIA2GRIA4PGRRIPK1
SCHEMBL11456343 0.77 DAO (0.42) RIPK1
SCHEMBL2327131 0.76 MAPK1 (0.44)
SCHEMBL6323918 0.71 GPR119 (0.39) FFAR2GPR119L3MBTL1PGR
SCHEMBL17512330 0.69 KMT2A (0.41)
SCHEMBL22648150 0.68 PGR (0.33) PGR
SCHEMBL29048373 0.67 DAO (0.39) RIPK1
SCHEMBL21110574 0.67 ALDH1A1 (0.40) L3MBTL1
SCHEMBL2521954 0.66 TTR (0.40) L3MBTL1
SCHEMBL3509496 0.66 GRIA2 (0.32) GRIA2GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 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 (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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B GRIA2 1924/4885GRIA4 1337/4885FFAR2 691/4885

“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.