SCHEMBL6178570

SCHEMBL6178570

Cc1csc(C(CC(=O)O)Cc2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.52
PKM P14618 1/20 0.50
MAOB P27338 4/20 0.47
FFAR4 Q5NUL3 1/20 0.47
PPARG P37231 3/20 0.46
PPARA Q07869 3/20 0.46
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46
MMP12 P39900 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
GBA1 P04062 1/20 0.44
LTA4H P09960 2/20 0.44
PPARD Q03181 1/20 0.44
PTPN1 P18031 1/20 0.44
LAP3 P28838 1/20 0.43

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
SCHEMBL27535223 0.90 NR1H4 (0.47) FFAR1PPARGPPARAPPARDPTPN1
SCHEMBL27557957 0.84 GBA1 (0.48) FFAR1MAOBFFAR4PPARGPPARA
SCHEMBL6501114 0.84 FFAR1 (0.49) FFAR1PKMMAOBFFAR4PPARG
SCHEMBL6176693 0.84 PKM (0.44) FFAR1PKMITGB3ITGAVMEN1
SCHEMBL6499973 0.81 PKM (0.51) FFAR1PKMMAOBFFAR4PPARG
SCHEMBL27557959 0.80 PTPN1 (0.43) FFAR1MAOBPPARGPPARAMEN1
SCHEMBL6180607 0.79 ITGB3 (0.74) ITGB3ITGAV
SCHEMBL6177774 0.78 PKM (0.77) FFAR1PKMMAOBFFAR4PPARG
SCHEMBL7807986 0.77 MAOB (0.49) FFAR1PKMMAOBPPARGPPARA
SCHEMBL6176937 0.74 GBA1 (0.42) FFAR1MEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR FFAR1 151/4885PKM 4524/4885MAOB 2823/4885

“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.