SCHEMBL2197407

SCHEMBL2197407

CCOP(C)(=O)c1ccc(NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ NAMPT P43490 2/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ BCL2 P10415 1/20 0.36
▸ MAPKAPK2 P49137 2/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ DEGS1 O15121 2/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 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
SCHEMBL27822940 0.88 GAA (0.46) HDAC1KDM4ETRPA1POLBGAA
SCHEMBL30871486 0.84 HDAC1 (0.42) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL1711712 0.83 KDM4E (0.47) KDM4EDEGS1POLBMAPTRAB9A
SCHEMBL9892949 0.76 MAPKAPK2 (0.38) HDAC1KDM4ENAMPTGRIN2BGSK3B
SCHEMBL15354526 0.75 NAMPT (0.50) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL31165509 0.74 KDM4E (0.46) KDM4EDYRK1APOLBGAAMAPT
SCHEMBL6059062 0.74 HDAC1 (0.42) HDAC1KDM4ENAMPTGRIN2BGSK3B
SCHEMBL4518257 0.74 HDAC1 (0.42) HDAC1KDM4ENAMPTGRIN2BGSK3B
SCHEMBL1891463 0.73 RAB9A (0.50) HDAC1KDM4EGRIN2BBCL2GAA
SCHEMBL1140072 0.73 GCK (0.43) HDAC1KDM4ENAMPTGRIN2BGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165452-A1 Substituted Heteroaryls PFIZER INC. (US) 2013-06-27 — — US disclosed
US-20130165452-A1 Substituted Heteroaryls PFIZER INC. (US) 2013-06-27 — — US disclosed
US-8389552-B2 (S)-6-(2-(4-(cyclobutylsulfonyl)-1H-imidazol-1-yl)-3-cyclopentylpropanamido)nicotinic acid useful as a glucokinase activator PFIZER INC. (US) 2013-03-05 — — US disclosed
US-8389552-B2 (S)-6-(2-(4-(cyclobutylsulfonyl)-1H-imidazol-1-yl)-3-cyclopentylpropanamido)nicotinic acid useful as a glucokinase activator PFIZER INC. (US) 2013-03-05 — — US disclosed
US-8329920-B2 Substituted imidazoles useful for treating type II diabetes PFIZER INC. (US) 2012-12-11 — — US disclosed
US-8329920-B2 Substituted imidazoles useful for treating type II diabetes PFIZER INC. (US) 2012-12-11 — — US disclosed
US-20120225910-A1 Substituted Heteroaryls PFIZER INC. (US) 2012-09-06 — — US disclosed
US-20120225910-A1 Substituted Heteroaryls PFIZER INC. (US) 2012-09-06 — — US disclosed
US-20110230445-A1 Substituted Heteroaryls PFIZER INC 2011-09-22 — — US disclosed
US-20110230445-A1 Substituted Heteroaryls PFIZER INC 2011-09-22 — — US disclosed
US-7977367-B2 Substituted imidazole propanamide glucokinase activators PFIZER INC (US) 2011-07-12 — — US disclosed
US-7977367-B2 Substituted imidazole propanamide glucokinase activators PFIZER INC (US) 2011-07-12 — — US disclosed
US-7977367-B2 Substituted imidazole propanamide glucokinase activators PFIZER INC (US) 2011-07-12 — — US disclosed
WO-2010029461-A1 HETEROARYLS AMIDE DERIVATIVES AND THEIR USE AS GLUCOKINASE ACTIVATORS PFIZER INC. (US) 2010-03-18 — — WO disclosed
US-20100063063-A1 Substituted Heteroaryls PFIZER INC 2010-03-11 — — US disclosed
US-20100063063-A1 Substituted Heteroaryls PFIZER INC 2010-03-11 — — US 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 (4 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-20120225910-A1 Substituted Heteroaryls GCKR, GCK, GALK1 HDAC1 480/4885KDM4E 2258/4885NAMPT 1841/4885
US-20110230445-A1 Substituted Heteroaryls GCKR, GCK, GALK1 HDAC1 467/4885KDM4E 2068/4885NAMPT 1840/4885
US-20100063063-A1 Substituted Heteroaryls GCKR, GCK, GALK1 HDAC1 467/4885KDM4E 2068/4885NAMPT 1840/4885
US-20130165452-A1 Substituted Heteroaryls GCKR, GCK, GALK1 HDAC1 467/4885KDM4E 2068/4885NAMPT 1840/4885

“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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