SCHEMBL6490642

SCHEMBL6490642

O=C(O)C[C@H](Cc1ccc(O)cc1)c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.44
MMEL1 Q495T6 1/20 0.44
CNR2 P34972 1/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
F10 P00742 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
MIF P14174 1/20 0.40
FFAR1 O14842 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MAOB P27338 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
SLC7A5 Q01650 1/20 0.40

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
SCHEMBL6490651 1.00 MME (0.44) MMEMMEL1CNR2PPARGPPARA
SCHEMBL6490544 0.84 FFAR1 (0.50) FFAR1ITGB3ITGAV
SCHEMBL6490548 0.84 FFAR1 (0.50) FFAR1ITGB3ITGAV
SCHEMBL6177284 0.84 GABBR2 (0.56) MIFESR1ESR2GABBR2GABBR1
SCHEMBL6177276 0.84 GABBR2 (0.56) MIFESR1ESR2GABBR2GABBR1
SCHEMBL6178799 0.84 GABBR2 (0.56) MIFESR1ESR2GABBR2GABBR1
SCHEMBL5857867 0.83 GABBR2 (0.50) CNR2FFAR1HDAC4HDAC7HDAC5
SCHEMBL27582759 0.82 ESR1 (0.51) MMEMIFFFAR1ESR1ESR2
SCHEMBL6533433 0.82 F10 (0.47) MMEF10OPRM1OPRD1OPRK1
SCHEMBL6533437 0.82 F10 (0.47) MMEF10OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020086866-A1 Quinoxalinones as serine protease inhibitors DUDLEY DANETTE ANDREA (US) 2002-07-04 US claimed
US-6916805-B2 Quinoxalinones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-07-12 US disclosed
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
EP-1218005-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP disclosed
EP-1218005-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-09 EP disclosed
US-20020086866-A1 Quinoxalinones as serine protease inhibitors DUDLEY DANETTE ANDREA (US) 2002-07-04 US disclosed
EP-1218005-A2 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-07-03 EP disclosed
US-6410536-B1 ANTICOAGULANTS WARNER-LAMBERT COMPANY 2002-06-25 US disclosed
WO-2001017959-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-15 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-20020086866-A1 Quinoxalinones as serine protease inhibitors HABP2, SERPINB1, PRSS1 MME 275/4885MMEL1 599/4885CNR2 3416/4885

“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.