SCHEMBL1553867

SCHEMBL1553867

COc1cc(O[Si](C)(C)C(C)(C)C)ccc1[C@H](CO)NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 2/20 0.44
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
ACHE P22303 3/20 0.42
ATM Q13315 2/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
TACR1 P25103 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AAK1 Q2M2I8 3/20 0.40
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL1554333 0.85 GPR88 (0.54) GPR88CA1CA2ACHEATM
SCHEMBL13899543 0.83 ATM (0.46) GPR88ATMITGB3ITGA2BTACR1
SCHEMBL1554043 0.82 CA1 (0.47) GPR88CA1CA2ACHEATM
SCHEMBL1554726 0.79 GPR88 (0.52) GPR88ATM
SCHEMBL13899365 0.77 ATM (0.46) ATMITGB3ITGA2BTACR1
SCHEMBL13536743 0.75 ALDH1A1 (0.52) ITGB3ITGA2BTACR1MEN1KMT2A
SCHEMBL13899285 0.75 AAK1 (0.49) ATMMEN1KMT2AAAK1
SCHEMBL1701856 0.75 ITGB3 (0.67) ITGB3ITGA2BTACR1
SCHEMBL12052784 0.75 ITGB3 (0.67) ITGB3ITGA2BTACR1
SCHEMBL13721611 0.74 ATM (0.57) CA1CA2ACHEATMITGB3

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-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
EP-2486030-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 EP 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 (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-20110245264-A1 Modulators of G Protein-Coupled Receptor 88 GPR88, GPR68, GRK2 GPR88 1/4885CA1 4614/4885CA2 3411/4885

“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.