SCHEMBL2038699

SCHEMBL2038699

CC(C)(C)OC(=O)C1CCC(O)(c2nccs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.42
F2RL3 Q96RI0 1/20 0.38
OPRL1 P41146 1/20 0.38
RBBP9 O75884 1/20 0.38
NPC1 O15118 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
CCR2 P41597 3/20 0.35
KCNH2 Q12809 1/20 0.35
METAP1 P53582 1/20 0.34
CCRL2 O00421 4/20 0.34
ANO1 Q5XXA6 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
ADORA2B P29275 1/20 0.33

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
SCHEMBL15823794 0.82 SYK (0.44) SYKOPRL1NPC1
SCHEMBL15823793 0.82 SYK (0.44) SYKOPRL1NPC1
SCHEMBL15823795 0.82 SYK (0.44) SYKOPRL1NPC1
SCHEMBL15826397 0.79 OPRL1 (0.47) SYKOPRL1CCR2KCNH2CCRL2
SCHEMBL15826398 0.79 OPRL1 (0.47) SYKOPRL1CCR2KCNH2CCRL2
SCHEMBL2500932 0.79 OPRL1 (0.47) SYKOPRL1CCR2KCNH2CCRL2
SCHEMBL15733118 0.79 CYP3A4 (0.36) SYKF2RL3RBBP9NPC1GPR119
SCHEMBL15733116 0.79 CYP3A4 (0.36) SYKF2RL3RBBP9NPC1GPR119
SCHEMBL15733117 0.79 CYP3A4 (0.36) SYKF2RL3RBBP9NPC1GPR119
SCHEMBL13517765 0.78 SYK (0.46) SYKF2RL3JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors ALTMAN MICHAEL D (US) 2014-08-28 US disclosed
US-8759366-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 US disclosed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
WO-2011075517-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 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-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK SYK 1/4885F2RL3 1400/4885OPRL1 2355/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK SYK 1/4885F2RL3 1400/4885OPRL1 2355/4885

“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.