SCHEMBL7798191

SCHEMBL7798191

O=C(O)CN1CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.54
ITGA2B P08514 2/20 0.54
DRD2 P14416 15/20 0.52
DRD3 P35462 15/20 0.52
CD274 Q9NZQ7 1/20 0.51
S1PR1 P21453 1/20 0.47
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45

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
SCHEMBL23929169 0.85 DRD2 (0.48) DRD2DRD3
SCHEMBL3654090 0.82 DRD2 (0.52) DRD2DRD3
SCHEMBL7799385 0.82 ITGB3 (0.58) ITGB3ITGA2BDRD2DRD3CD274
SCHEMBL3843083 0.81 ESR2 (0.57) DRD2DRD3ESR1ESR2
SCHEMBL1602268 0.80 DRD2 (0.51) DRD2DRD3
SCHEMBL13094748 0.78 DRD1 (0.56) DRD2DRD3ESR1ESR2
SCHEMBL8179719 0.76 ESR1 (0.45) DRD2DRD3ESR1ESR2
SCHEMBL7799399 0.76 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL13144731 0.76 DRD2 (0.51) DRD2DRD3
SCHEMBL7798156 0.76 ITGB3 (0.54) ITGB3ITGA2BDRD2DRD3CD274

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-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL ITGB3 132/4885ITGA2B 106/4885DRD2 3420/4885

“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.