SCHEMBL2508975

SCHEMBL2508975

CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
SYK P43405 1/20 0.36
DGAT1 O75907 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
JAK2 O60674 2/20 0.35
USP30 Q70CQ3 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2992999 0.82 AR (0.43) LIPGKEAP1NFE2L2DGAT1SLC6A2
SCHEMBL1460470 0.82 USP30 (0.39) DGAT1USP30NR1H2AAK1PRMT5
SCHEMBL3232840 0.81 USP30 (0.38) LIPGDGAT1USP30AAK1PRMT5
SCHEMBL17231920 0.81 TDP1 (0.43) SYKSLC6A2SLC6A3KMT2ATDP1
SCHEMBL30806103 0.80 TSHR (0.40) LIPGKEAP1NFE2L2DGAT1SLC6A2
SCHEMBL2512518 0.79 TDP1 (0.41) SYKGPR119SLC6A2SLC6A3KMT2A
Pivalate SCHEMBL30806126 0.78 TSHR (0.36) LIPGKEAP1NFE2L2DGAT1SLC6A2
SCHEMBL1971320 0.77 TACR1 (0.45) SYKSLC6A2SLC6A3KMT2ATDP1
SCHEMBL16342895 0.72 KMT2A (0.58) LIPGKEAP1NFE2L2DGAT1SLC6A2
SCHEMBL17726667 0.72 GHSR (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
EP-2379523-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS Incyte Corporation (US) 2011-10-26 EP disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
WO-2010075270-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS INCYTE CORPORATION (US) 2010-07-01 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-20100173901-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 LIPG 4658/4885KEAP1 149/4885NFE2L2 916/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 LIPG 4658/4885KEAP1 149/4885NFE2L2 916/4885

“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.