SCHEMBL7796055

SCHEMBL7796055

Nc1cccc(CCNCC(=O)c2ccc(OCC(=O)O)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA2B P08514 1/20 0.41
ADRB3 P13945 1/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PTPN7 P35236 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN12 Q05209 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALOX15 P16050 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL7796035 0.90 MAPT (0.40) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL7795627 0.85 SMN1; SMN2 (0.39) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL7588938 0.78 LMNA (0.38) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL7796040 0.77 ITGB3 (0.40) ITGB3ITGAVITGA2BMAPTSMN1; SMN2
SCHEMBL7592919 0.77 LMNA (0.37) ITGB1ITGA5ITGB3ITGA2BMAPT
SCHEMBL7795621 0.76 LMNA (0.39) ITGB3ITGA2BMAPTSMN1; SMN2MEN1
SCHEMBL7796049 0.73 MAPK1 (0.42) MAPTSMN1; SMN2ALDH1A1KDM4ENPC1
Acetic Acid SCHEMBL7485260 0.72 ITGB1 (0.52) ITGB1ITGA5ITGB3ITGAVALOX15
SCHEMBL7795117 0.71 ITGB3 (0.44) ITGB1ITGB3ITGAVITGA2BSMN1; SMN2
SCHEMBL8522726 0.70 ITGB1 (0.48) ITGB1ITGA5ITGB3ITGAVMAPT

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 ITGB1 22/4885ITGA5 80/4885ITGB3 132/4885

“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.