SCHEMBL4537641

SCHEMBL4537641

O=C(O)NC(CO)c1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ PTGES O14684 5/20 0.43
▸ ACACB O00763 2/20 0.43
▸ EPHX2 P34913 2/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ MAPK13 O15264 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ RPS6KA5 O75582 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ PAK4 O96013 1/20 0.40
▸ PRKCG P05129 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ AKT2 P31751 1/20 0.40
▸ CLK2 P49760 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
SCHEMBL4542411 0.82 CTSK (0.48) RIPK1PTGESACACB
SCHEMBL4542412 0.82 CTSK (0.48) RIPK1PTGESACACB
SCHEMBL30669255 0.82 CTSK (0.48) RIPK1PTGESACACB
SCHEMBL668277 0.81 RIPK1 (0.60) RIPK1EPHX2MAPK13ROCK2RPS6KA5
SCHEMBL117597 0.81 RIPK1 (0.60) RIPK1EPHX2MAPK13ROCK2RPS6KA5
SCHEMBL3311541 0.81 RIPK1 (0.60) RIPK1EPHX2MAPK13ROCK2RPS6KA5
SCHEMBL4597982 0.78 CYP26A1 (0.50) RIPK1EPHX2ROCK2CDK2
SCHEMBL16783311 0.78 KYNU (0.45) RIPK1EPHX2MAPK13ROCK2RPS6KA5
SCHEMBL4596498 0.78 MAPK1 (0.51) RIPK1CDK2MAPK1
SCHEMBL3446408 0.78 MAPK1 (0.51) RIPK1CDK2MAPK1

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 RIPK1 1206/4885PTPN11 794/4885PTGES 1220/4885

“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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