SCHEMBL14809201

SCHEMBL14809201

CCOP(=O)(OCC)c1ccc(C(C)(C)C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC1 Q13547 1/20 0.40
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
POLB P06746 2/20 0.36
ACHE P22303 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 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
SCHEMBL16260336 0.86 HDAC1 (0.41) MEN1KMT2AHDAC1SMN1; SMN2POLB
SCHEMBL16243953 0.84 CNR2 (0.46) MEN1KMT2AHDAC1LTA4HEPHX2
SCHEMBL14130804 0.81 HMGCR (0.41) MEN1KMT2AHDAC1EPHX2TDP1
SCHEMBL6829825 0.78 TDP1 (0.49) MEN1KMT2ALTA4HEPHX2TDP1
SCHEMBL2207123 0.76 MEN1 (0.50) MEN1KMT2AHDAC1LTA4HEPHX2
SCHEMBL2958029 0.76 TDP1 (0.40) MEN1KMT2AHDAC1TDP1CA12
SCHEMBL14255603 0.74 NR1H2 (0.49) SMN1; SMN2NR1I2
SCHEMBL3497043 0.74 MAPT (0.52) KMT2AHDAC1ALDH1A1TSHR
SCHEMBL2923558 0.74 HDAC1 (0.39) MEN1KMT2AHDAC1LTA4HEPHX2
SCHEMBL2985030 0.73 ALDH1A1 (0.47) MEN1KMT2ALTA4HEPHX2CA2

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
EP-2758059-B1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME (US) 2018-10-24 EP disclosed
US-9079930-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-07-14 US disclosed
US-9079930-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-07-14 US disclosed
US-20140349972-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP (US) 2014-11-27 US disclosed
US-20140349972-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP (US) 2014-11-27 US disclosed
EP-2758059-A1 SUBSTITUTED PYRIMIDINES Merck Sharp & Dohme Corp. (US) 2014-07-30 EP disclosed
WO-2013043624-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP. (US) 2013-03-28 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-20140349972-A1 SUBSTITUTED PYRIMIDINES HIF1AN, HIF1A, EGLN3 MEN1 4437/4885KMT2A 408/4885HDAC1 2774/4885

“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.