SCHEMBL7799412

SCHEMBL7799412

O=C(O)CCc1cc2cc(OS(=O)(=O)C(F)(F)F)ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.57
FFAR1 O14842 6/20 0.57
CYP2C9 P11712 1/20 0.57
CACNA1C Q13936 1/20 0.57
HSD11B1 P28845 1/20 0.46
PIM1 P11309 1/20 0.43
PTGER4 P35408 1/20 0.40
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
PLA2G5 P39877 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
CA2 P00918 2/20 0.37
STS P08842 2/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL2807426 0.77 HSD11B1 (0.56) FFAR4FFAR1CYP2C9CACNA1CHSD11B1
SCHEMBL7799417 0.74 FFAR4 (0.52) FFAR4FFAR1CYP2C9CACNA1CKDM4E
SCHEMBL2810641 0.73 PIM1 (0.56) HSD11B1PIM1KDM4EALDH1A1MAPT
SCHEMBL7799411 0.73 HSD11B1 (0.49) FFAR4HSD11B1PIM1KDM4EALDH1A1
SCHEMBL7795543 0.73 TBXAS1 (0.53) FFAR4FFAR1CYP2C9CACNA1C
SCHEMBL7796054 0.73 FLT3 (0.54) FFAR4FFAR1CYP2C9CACNA1CALDH1A1
SCHEMBL1918754 0.72 PIM1 (0.52) HSD11B1PIM1KDM4EALDH1A1CA2
SCHEMBL5581998 0.72 FFAR1 (0.56) FFAR4FFAR1CA2
SCHEMBL17440323 0.72 CYP2A6 (0.58) HSD11B1KDM4EALDH1A1MAPTPKM
SCHEMBL4056753 0.71 CA1 (0.51) HSD11B1CA2HTR1AHTR1DHTR1B

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 11 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-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 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
WO-1997024119-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 FFAR4 386/4885FFAR1 108/4885CYP2C9 2762/4885

“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.