SCHEMBL1554726

SCHEMBL1554726

COc1cc(OCc2ccccc2)ccc1[C@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 2/20 0.52
PTPN1 P18031 2/20 0.44
BCL2 P10415 1/20 0.44
PPARA Q07869 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
LTA4H P09960 1/20 0.41
CTSS P25774 1/20 0.41
MAPT P10636 1/20 0.41
SYK P43405 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
TNF P01375 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.40
YAP1 P46937 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
SCHEMBL1554333 0.89 GPR88 (0.54) GPR88NPC1RAB9ASMN1; SMN2CTSS
SCHEMBL1555587 0.88 GPR88 (0.50) GPR88PTPN1BCL2PPARANPC1
SCHEMBL1554247 0.82 GPR88 (0.60) GPR88PPARA
SCHEMBL27983817 0.82 KMT2A (0.51) PTPN1PPARASMN1; SMN2
SCHEMBL1554728 0.82 SYK (0.47) PTPN1BCL2PPARANPC1RAB9A
SCHEMBL5350616 0.82 PRKCA (0.54) GPR88PTPN1BCL2PPARANPC1
SCHEMBL1553475 0.82 PRKCA (0.54) GPR88PTPN1BCL2PPARANPC1
SCHEMBL1553332 0.81 GPR88 (0.40) GPR88CTSS
SCHEMBL29582289 0.81 CTSS (0.45) CTSSL3MBTL1ATM
SCHEMBL14044920 0.81 CTSS (0.45) CTSSL3MBTL1ATM

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 1/4885PTPN1 1900/4885BCL2 3843/4885

“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.