SCHEMBL7796039

SCHEMBL7796039

O=C(O)CC1CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.54
ITGA2B P08514 3/20 0.54
DRD2 P14416 1/20 0.50
HTR1D P28221 1/20 0.50
DRD3 P35462 1/20 0.50
DGAT1 O75907 1/20 0.48
FFAR1 O14842 1/20 0.44
MCHR1 Q99705 2/20 0.42
CYP26A1 O43174 1/20 0.42
PPARD Q03181 3/20 0.42
PPARA Q07869 2/20 0.42
CYP19A1 P11511 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FFAR4 Q5NUL3 3/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6158884 0.82 DRD2 (0.58) DRD2HTR1DDRD3CYP26A1CYP19A1
SCHEMBL4621033 0.82 CYP26A1 (0.61) ITGB3ITGA2BDRD2DRD3DGAT1
SCHEMBL6749712 0.81 DRD2 (0.50) DRD2HTR1DDRD3FFAR1
SCHEMBL9137393 0.80 DRD2 (0.48) DRD2HTR1DDRD3MCHR1CYP26A1
SCHEMBL3947555 0.79 PPARD (0.65) FFAR1PPARDPPARA
SCHEMBL346606 0.77 DRD2 (0.52) DRD2HTR1DDRD3
SCHEMBL6936763 0.76 DRD2 (0.52) DRD2HTR1DDRD3FFAR1ALDH1A1
SCHEMBL26371282 0.76 HTR1D (0.56) DRD2HTR1DDRD3CYP19A1
SCHEMBL14137078 0.76 ITGB3 (0.56) ITGB3ITGA2BDGAT1CYP26A1PPARD
SCHEMBL4623171 0.76 DGAT1 (0.56) ITGB3ITGA2BDRD2DRD3DGAT1

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 disclosed
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO 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 132/4885ITGA2B 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.