SCHEMBL7796040

SCHEMBL7796040

CN(CC(=O)c1ccc(OCC(=O)O)cc1)Cc1cccc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA2B P08514 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALOX15 P16050 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.38
ESR1 P03372 2/20 0.37
MAOB P27338 1/20 0.37
AOC3 Q16853 1/20 0.37
CYP19A1 P11511 1/20 0.37
FFAR1 O14842 2/20 0.36
PTPN7 P35236 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
SCHEMBL7796029 0.89 NPC1 (0.39) SMN1; SMN2KDM4ECYP1A2CYP2C19MAPT
SCHEMBL7788854 0.86 ITGB3 (0.52) ITGB3ITGAVITGA2BSMN1; SMN2POLB
SCHEMBL7795621 0.85 LMNA (0.39) ITGB3ITGA2BSMN1; SMN2KDM4ECYP1A2
SCHEMBL7588938 0.83 LMNA (0.38) ITGB3ITGAVITGA2BSMN1; SMN2KDM4E
SCHEMBL7592919 0.81 LMNA (0.37) ITGB3ITGA2BSMN1; SMN2KDM4ECYP1A2
SCHEMBL7796055 0.77 ITGB1 (0.41) ITGB3ITGAVITGA2BSMN1; SMN2KDM4E
SCHEMBL7795627 0.76 SMN1; SMN2 (0.39) ITGB3ITGAVITGA2BSMN1; SMN2KDM4E
SCHEMBL7796051 0.72 MAPK1 (0.43) SMN1; SMN2KDM4EMAPTNPC1RAB9A
SCHEMBL7795113 0.72 ITGB3 (0.55) ITGB3ITGAVITGA2BPOLB
SCHEMBL7796035 0.70 MAPT (0.40) ITGB3ITGAVITGA2BSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US claimed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP claimed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP claimed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO claimed
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL ITGB3 132/4885ITGAV 184/4885ITGA2B 106/4885

“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.