SCHEMBL7795628

SCHEMBL7795628

CC(C(=O)O)C1Cc2cc(OS(=O)(=O)C(F)(F)F)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.39
HSD11B1 P28845 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
HTR1D P28221 1/20 0.39
CXCR1 P25024 1/20 0.39
CHRM1 P11229 1/20 0.38
DRD4 P21917 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
STS P08842 1/20 0.34
PPARA Q07869 2/20 0.34

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
SCHEMBL7798232 0.77 TDP1 (0.42) TDP1
SCHEMBL1390540 0.77 RORC (0.42) CXCR2HSD11B1DRD2DRD3HTR1D
SCHEMBL7921681 0.77 RORC (0.42) CXCR2HSD11B1DRD2DRD3HTR1D
SCHEMBL1390598 0.77 RORC (0.42) CXCR2HSD11B1DRD2DRD3HTR1D
SCHEMBL1390942 0.77 RORC (0.42) CXCR2HSD11B1DRD2DRD3HTR1D
SCHEMBL1390545 0.77 RORC (0.42) CXCR2HSD11B1DRD2DRD3HTR1D
SCHEMBL1390601 0.77 RORC (0.42) CXCR2HSD11B1DRD2DRD3HTR1D
SCHEMBL1390922 0.77 RORC (0.42) CXCR2HSD11B1DRD2DRD3HTR1D
SCHEMBL7788801 0.76 TDP1 (0.41) GABRA1GABRB2TDP1PTGS1PTGS2
SCHEMBL7795997 0.76 TDP1 (0.62) TDP1PTGS2

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-A4 1999-04-07 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 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
WO-1997024124-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 CXCR2 251/4885HSD11B1 1728/4885DRD2 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.