SCHEMBL1856231

SCHEMBL1856231

CC(C(=O)OC(C)(C)C)n1ccc([N+](=O)[O-])n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.40
PLAU P00749 3/20 0.40
KLKB1 P03952 3/20 0.40
ELANE P08246 3/20 0.40
LMNA P02545 4/20 0.37
KMT2A Q03164 5/20 0.36
PKM P14618 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
POLB P06746 1/20 0.32
BRD4 O60885 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL21826680 0.85 F2 (0.43) F2PLAUKLKB1ELANELMNA
SCHEMBL21826682 0.85 F2 (0.43) F2PLAUKLKB1ELANELMNA
SCHEMBL21826382 0.80 F2 (0.48) F2PLAUKLKB1ELANELMNA
SCHEMBL21826394 0.80 F2 (0.48) F2PLAUKLKB1ELANELMNA
SCHEMBL28771845 0.79 LMNA (0.40) F2PLAUKLKB1ELANELMNA
SCHEMBL21825683 0.79 F2 (0.44) F2PLAUKLKB1ELANELMNA
SCHEMBL21826733 0.79 F2 (0.44) F2PLAUKLKB1ELANELMNA
SCHEMBL1862485 0.77 LMNA (0.36) ELANELMNAKMT2AALDH1A1MAPT
SCHEMBL28618048 0.76 F2 (0.43) F2PLAUKLKB1ELANELMNA
SCHEMBL20503558 0.74 F2 (0.54) F2PLAUKLKB1ELANELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 US disclosed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP disclosed
CN-101541756-A Pyrazoles as glucokinase activators HOFFMANN LA ROCHE (CH) 2009-09-23 CN disclosed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 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 (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-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 F2 2844/4885PLAU 1115/4885KLKB1 894/4885

“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.