SCHEMBL2544292

SCHEMBL2544292

C[C@@H]1C[C@H](OS(C)(=O)=O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
GPR119 Q8TDV5 10/20 0.38
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2536245 1.00 CHRM2 (0.40) CHRM2CHRM1CHRM3GPR119HSD17B10
SCHEMBL16729598 1.00 CHRM2 (0.40) CHRM2CHRM1CHRM3GPR119HSD17B10
SCHEMBL1549880 1.00 CHRM2 (0.40) CHRM2CHRM1CHRM3GPR119HSD17B10
SCHEMBL16059514 1.00 CHRM2 (0.40) CHRM2CHRM1CHRM3GPR119HSD17B10
SCHEMBL8806728 0.86 GPR119 (0.40) CHRM2CHRM1CHRM3GPR119
SCHEMBL8064199 0.86 GPR119 (0.40) CHRM2CHRM1CHRM3GPR119
SCHEMBL376575 0.86 GPR119 (0.40) CHRM2CHRM1CHRM3GPR119
SCHEMBL9386815 0.86 GPR119 (0.40) CHRM2CHRM1CHRM3GPR119
SCHEMBL3243612 0.86 GPR119 (0.40) CHRM2CHRM1CHRM3GPR119
SCHEMBL21311371 0.85 CHRM2 (0.39) CHRM2CHRM1CHRM3GPR119HSD17B10

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
US-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 US disclosed
US-8372837-B2 Pyridone and pyridazone analogues as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-12 US disclosed
EP-2313395-B1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 EP disclosed
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-27 US 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 (2 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-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 CHRM2 37/4885CHRM1 48/4885CHRM3 77/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 CHRM2 40/4885CHRM1 53/4885CHRM3 82/4885

“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.