SCHEMBL2199576

SCHEMBL2199576

COC(=O)[C@@H](CC1CCOCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.53
CTSS P25774 3/20 0.53
AAK1 Q2M2I8 3/20 0.43
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
GSTP1 P09211 1/20 0.39
GSTM2 P28161 1/20 0.39
KMT2A Q03164 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CTSL P07711 1/20 0.38
CACNA1B Q00975 2/20 0.37

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
SCHEMBL16800 1.00 CTSK (0.53) CTSKCTSSAAK1NFKB1NFKB2
SCHEMBL2199572 1.00 CTSK (0.53) CTSKCTSSAAK1NFKB1NFKB2
SCHEMBL30557041 0.92 CTSK (0.48) CTSKCTSSAAK1NFKB1NFKB2
SCHEMBL14151599 0.90 CTSS (0.63) CTSKCTSSAAK1NFKB1NFKB2
SCHEMBL6078092 0.90 CTSS (0.63) CTSKCTSSAAK1NFKB1NFKB2
SCHEMBL7084925 0.90 CTSS (0.63) CTSKCTSSAAK1NFKB1NFKB2
SCHEMBL16773 0.88 CTSS (0.57) CTSKCTSSAAK1KMT2AHDAC4
SCHEMBL16774 0.88 CTSS (0.57) CTSKCTSSAAK1KMT2AHDAC4
SCHEMBL19385461 0.87 CTSK (0.63) CTSKCTSSAAK1NFKB1NFKB2
SCHEMBL29414317 0.87 CTSK (0.60) CTSKCTSSAAK1NFKB1NFKB2

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 27 patents — showing the first 20. 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-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-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-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-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
US-20110130365-A1 Fluorinated Heteroaryls BENBOW JOHN W 2011-06-02 US disclosed
US-20110130365-A1 Fluorinated Heteroaryls BENBOW JOHN W 2011-06-02 US disclosed
WO-2010084428-A1 SUBSTITUTED PYRAZINONE AMIDES PFIZER INC. (US) 2010-07-29 WO disclosed
US-20100184777-A1 Substituted Pyrazinone Amides PFIZER INC 2010-07-22 US disclosed
US-20100184777-A1 Substituted Pyrazinone Amides PFIZER INC 2010-07-22 US 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 (5 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-20100184777-A1 Substituted Pyrazinone Amides GCK, GCKR, PDK2 CTSK 259/4885CTSS 1574/4885AAK1 108/4885
US-20110130365-A1 Fluorinated Heteroaryls GCKR, GALK1, GCK CTSK 659/4885CTSS 1972/4885AAK1 596/4885
US-20120225910-A1 Substituted Heteroaryls GCKR, GCK, GALK1 CTSK 296/4885CTSS 905/4885AAK1 173/4885
US-20100063063-A1 Substituted Heteroaryls GCKR, GCK, GALK1 CTSK 295/4885CTSS 961/4885AAK1 171/4885
US-20130165452-A1 Substituted Heteroaryls GCKR, GCK, GALK1 CTSK 295/4885CTSS 961/4885AAK1 171/4885

“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.