SCHEMBL4543120

SCHEMBL4543120

O=C(O)[C@@H](c1cccc(C#Cc2ccccc2)c1)[C@@H](O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.47
▸ PTPN11 Q06124 1/20 0.44
▸ HNF4A P41235 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ FFAR1 O14842 4/20 0.41
▸ APP P05067 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ SRC P12931 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37

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
SCHEMBL5178065 0.80 CYP2D6 (0.73) CYP2D6LMNAMAPK1SRC
SCHEMBL13584847 0.78 PTPN11 (0.43) PTPN11HNF4ALMNAFFAR1CA12
SCHEMBL13584844 0.78 PTPN11 (0.43) PTPN11HNF4ALMNAFFAR1CA12
SCHEMBL17450483 0.78 APP (0.50) PTPN11HNF4ALMNAFFAR1APP
SCHEMBL6101862 0.73 PTPN11 (0.44) PTPN11HNF4AFFAR1APPCA12
Diphenylacetic Acid SCHEMBL30467539 0.72 APP (0.52) CYP2D6LMNAMAPK1FFAR1APP
SCHEMBL4543455 0.72 BCAT2 (0.50) PTPN11LMNAFFAR1PTGES
SCHEMBL20490501 0.71 HDAC4 (0.66) PTPN11
SCHEMBL3839542 0.70 PTPN11 (0.41) PTPN11FFAR1PTGES
SCHEMBL4537646 0.70 PTGES (0.50) FFAR1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 — — US disclosed
EP-2638022-B1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL MYERS SQUIBB CO (US) 2014-12-24 — — EP disclosed
EP-2638022-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 Bristol-Myers Squibb Company (US) 2013-09-18 — — EP disclosed
US-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 — — US disclosed
WO-2012064603-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-18 — — 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-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 GRM5, GRIK5, GRM1 CYP2D6 2636/4885PTPN11 794/4885HNF4A 3476/4885

“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.

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