SCHEMBL4543253

SCHEMBL4543253

CC(=O)NC(c1cccc(Br)c1)C(O)C(=O)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HSD17B10 Q99714 1/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
KCNA5 P22460 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL5021257 1.00 ALDH1A1 (0.41) ALDH1A1CYP1A2SMN1; SMN2NPC1CASP3
SCHEMBL13584745 1.00 ALDH1A1 (0.41) ALDH1A1CYP1A2SMN1; SMN2NPC1CASP3
SCHEMBL28573252 0.84 HTT (0.44) ALDH1A1CYP1A2SMN1; SMN2HSD17B10
SCHEMBL28573250 0.84 HTT (0.44) ALDH1A1CYP1A2SMN1; SMN2HSD17B10
SCHEMBL4536620 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL3881452 0.74 ALDH1A1 (0.59) ALDH1A1CYP1A2SMN1; SMN2POLBL3MBTL1
SCHEMBL12341890 0.74 ALDH1A1 (0.59) ALDH1A1CYP1A2SMN1; SMN2POLBL3MBTL1
SCHEMBL2769652 0.74 ALDH1A1 (0.59) ALDH1A1CYP1A2SMN1; SMN2POLBL3MBTL1
SCHEMBL3893098 0.74 ALDH1A1 (0.59) ALDH1A1CYP1A2SMN1; SMN2POLBL3MBTL1
SCHEMBL336016 0.71 CASP1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AKCNA5

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 ALDH1A1 3633/4885CYP1A2 3612/4885SMN1; SMN2 878/4885

“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.