SCHEMBL13873863

SCHEMBL13873863

CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCCCC2)cc1)C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.83
ITGA2B P08514 20/20 0.83
ITGAV P06756 1/20 0.83
CHRM2 P08172 1/20 0.83
SLC6A4 P31645 1/20 0.83

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
Tirofiban SCHEMBL3685 0.91 ITGB3 (1.00) ITGB3ITGA2BITGAVCHRM2SLC6A4
Tirofiban SCHEMBL17721319 0.91 ITGB3 (1.00) ITGB3ITGA2BITGAVCHRM2SLC6A4
Tirofiban SCHEMBL618214 0.91 ITGB3 (1.00) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8202403 0.90 ITGB3 (0.79) ITGB3ITGA2BITGAVCHRM2SLC6A4
Tirofiban SCHEMBL28858023 0.90 ITGB3 (0.98) ITGB3ITGA2BITGAVCHRM2SLC6A4
Tirofiban SCHEMBL155170 0.90 ITGB3 (0.98) ITGB3ITGA2BITGAVCHRM2SLC6A4
Tirofiban SCHEMBL41327 0.90 ITGB3 (0.98) ITGB3ITGA2BITGAVCHRM2SLC6A4
Tirofiban SCHEMBL7388934 0.89 ITGB3 (0.96) ITGB3ITGA2BITGAVCHRM2SLC6A4
Tirofiban SCHEMBL140366 0.89 ITGB3 (0.96) ITGB3ITGA2BITGAVCHRM2SLC6A4
Tirofiban SCHEMBL41325 0.89 ITGB3 (0.96) ITGB3ITGA2BITGAVCHRM2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111769-A1 Antithrombotic Compound MSD OSS B.V. (NL) 2009-04-30 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-20090111769-A1 Antithrombotic Compound TFPI, FGB, SERPINC1 ITGB3 16/4885ITGA2B 15/4885ITGAV 60/4885

“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.