SCHEMBL1554857

SCHEMBL1554857

Cc1cc(O)ccc1[C@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.40
▸ CTSK P43235 2/20 0.40
▸ NQO2 P16083 1/20 0.39
▸ MAP1LC3B Q9GZQ8 1/20 0.39
▸ MAP1LC3A Q9H492 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.38
▸ GPR88 Q9GZN0 1/20 0.38
▸ MIF P14174 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PPARA Q07869 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 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
SCHEMBL1553332 0.85 GPR88 (0.40) CTSSCTSKNQO2MAP1LC3BMAP1LC3A
SCHEMBL29747547 0.82 JAK2 (0.43) CTSSCTSKMAPK1PPARAATM
SCHEMBL10270101 0.82 JAK2 (0.43) CTSSCTSKMAPK1PPARAATM
SCHEMBL29748599 0.82 JAK2 (0.43) CTSSCTSKMAPK1PPARAATM
SCHEMBL1555587 0.81 GPR88 (0.50) CTSSGPR88PPARAATMACE
SCHEMBL2898215 0.80 CTSS (0.41) CTSSCTSKNQO2MAP1LC3BMAP1LC3A
SCHEMBL2897029 0.80 CTSS (0.39) CTSSCTSKNQO2MAP1LC3BMAP1LC3A
SCHEMBL2011973 0.79 CTSS (0.47) CTSSCTSKGPR88MIFPPARA
SCHEMBL25533312 0.79 CTSS (0.47) CTSSCTSKGPR88MIFPPARA
SCHEMBL1553363 0.79 CTSS (0.47) CTSSCTSKGPR88MIFPPARA

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 CTSS 4468/4885CTSK 4010/4885NQO2 3216/4885

“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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