SCHEMBL1554765

SCHEMBL1554765

CC[C@H](C)COc1ccc(C(NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 18/20 0.54
FFAR1 O14842 1/20 0.51
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48

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
SCHEMBL1554764 1.00 GPR88 (0.54) GPR88FFAR1CTSSCTSK
SCHEMBL1554766 1.00 GPR88 (0.54) GPR88FFAR1CTSSCTSK
SCHEMBL2500015 1.00 GPR88 (0.54) GPR88FFAR1CTSSCTSK
SCHEMBL1584437 0.91 GPR88 (0.65) GPR88
SCHEMBL2523743 0.91 GPR88 (0.53) GPR88FFAR1CTSSCTSK
SCHEMBL2523742 0.91 GPR88 (0.53) GPR88FFAR1CTSSCTSK
SCHEMBL2523740 0.91 GPR88 (0.53) GPR88FFAR1CTSSCTSK
SCHEMBL3379296 0.88 CTSS (0.50) GPR88CTSSCTSK
SCHEMBL4744531 0.88 CTSS (0.50) GPR88CTSSCTSK
SCHEMBL3379292 0.88 CTSS (0.50) GPR88CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486011-B1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL MYERS SQUIBB CO (US) 2017-04-26 EP disclosed
US-8497271-B2 Modulators of G protein-coupled receptor 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-30 US disclosed
EP-2486030-B1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL MYERS SQUIBB CO (US) 2013-07-24 EP disclosed
US-8304577-B2 Modulators of G protein-coupled receptor 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
EP-2486030-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
US-20110251196-A1 Modulators of G Protein-Coupled Receptor 88 Bristol-Myers Squibb Company and Lexicon Pharmaceuticals, Inc. 2011-10-13 US disclosed
US-20110245264-A1 Modulators of G Protein-Coupled Receptor 88 Bristol-Myers Squibb Company and Lexicon Pharmaceuticals, Inc. 2011-10-06 US disclosed
WO-2011044195-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 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 (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-20110251196-A1 Modulators of G Protein-Coupled Receptor 88 GPR88, GPR68, GRK2 GPR88 1/4885FFAR1 200/4885CTSS 4468/4885
US-20110245264-A1 Modulators of G Protein-Coupled Receptor 88 GPR88, GPR68, GRK2 GPR88 1/4885FFAR1 200/4885CTSS 4468/4885

“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.