SCHEMBL7217243

SCHEMBL7217243

CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(c2ccc(C#N)cc2)=NO1)C(=O)OC

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.76
ITGA2B P08514 18/20 0.76
MIF P14174 2/20 0.51

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
SCHEMBL7214752 1.00 ITGB3 (0.76) ITGB3ITGA2BMIF
SCHEMBL7214664 1.00 ITGB3 (0.76) ITGB3ITGA2BMIF
SCHEMBL7220986 0.87 ITGB3 (0.83) ITGB3ITGA2B
Roxifiban SCHEMBL24336949 0.86 ITGB3 (1.00) ITGB3ITGA2B
Roxifiban SCHEMBL344302 0.86 ITGB3 (1.00) ITGB3ITGA2B
Roxifiban SCHEMBL919675 0.84 ITGB3 (0.95) ITGB3ITGA2B
SCHEMBL7229682 0.84 ITGB3 (0.74) ITGB3ITGA2BMIF
SCHEMBL7409072 0.84 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL7231799 0.83 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL7413714 0.83 ITGB3 (0.80) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624311-B2 Forming roxifiban BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-09-23 US claimed
US-20020160465-A1 Enantioselective enzymatic aminolysis of a racemic 2-isoxazolylacetate alkyl ester BRITOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2002-10-31 US claimed
US-6624311-B2 Forming roxifiban BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-09-23 US disclosed
US-6624311-B2 Forming roxifiban BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-09-23 US disclosed
US-20020160465-A1 Enantioselective enzymatic aminolysis of a racemic 2-isoxazolylacetate alkyl ester BRITOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2002-10-31 US disclosed
US-20020160465-A1 Enantioselective enzymatic aminolysis of a racemic 2-isoxazolylacetate alkyl ester BRITOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2002-10-31 US 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-20020160465-A1 Enantioselective enzymatic aminolysis of a racemic 2-isoxazolylacetate alkyl ester ANPEP, DAO, DNPEP ITGB3 128/4885ITGA2B 106/4885MIF 2101/4885

“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.