SCHEMBL6177774

SCHEMBL6177774

O=C(O)CC(Cc1ccc(OCc2ccccc2)cc1)c1nc2ccccc2s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.77
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
FFAR1 O14842 4/20 0.47
FFAR4 Q5NUL3 1/20 0.47
CYSLTR2 Q9NS75 2/20 0.47
CYSLTR1 Q9Y271 2/20 0.47
PPARD Q03181 2/20 0.46
ALOX5 P09917 1/20 0.45
EPHX2 P34913 1/20 0.45
MAOB P27338 1/20 0.45
MMP12 P39900 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AKR1B1 P15121 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44

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
SCHEMBL27535477 0.88 PKM (0.63) PKMPPARGPPARACYSLTR2CYSLTR1
SCHEMBL6177984 0.86 PKM (0.75) PKMALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL6499973 0.79 PKM (0.51) PKMPPARGPPARAFFAR1FFAR4
SCHEMBL6176294 0.79 ITGB3 (0.73) PKM
SCHEMBL6178570 0.78 FFAR1 (0.52) PKMPPARGPPARAFFAR1FFAR4
SCHEMBL9316764 0.77 PKM (0.61) PKMALOX5SMN1; SMN2MAPK1MEN1
SCHEMBL6501114 0.76 FFAR1 (0.49) PKMPPARGPPARAFFAR1FFAR4
SCHEMBL6179653 0.74 MAPK9 (0.48) PKMPPARGPPARAALOX5EPHX2
SCHEMBL28745032 0.74 PKM (0.61) PKMALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL6179039 0.74 NPC1 (0.76) PPARGPPARAALOX5EPHX2NPC1

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 PKM 4524/4885PPARG 2449/4885PPARA 2296/4885

“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.