SCHEMBL1865091

SCHEMBL1865091

CS(=O)(=O)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
KMT2A Q03164 3/20 0.42
PKM P14618 2/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
GAA P10253 1/20 0.39
HDAC1 Q13547 1/20 0.38

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
SCHEMBL17316285 0.84 LMNA (0.49) LMNAKMT2APKMMEN1ALDH1A1
SCHEMBL1857009 0.84 LMNA (0.52) LMNAKMT2APKMMEN1ALDH1A1
SCHEMBL17316432 0.82 PKM (0.52) LMNACYP3A4KMT2APKMMEN1
SCHEMBL1865930 0.82 LMNA (0.47) LMNACYP2C9KMT2APKMMEN1
SCHEMBL21199265 0.81 SOS1 (0.52) LMNAKMT2APKMMEN1ALDH1A1
SCHEMBL17316380 0.81 LMNA (0.47) LMNACYP3A4KMT2APKMMEN1
SCHEMBL1866232 0.80 F2 (0.49) LMNACYP3A4KMT2APKMMEN1
SCHEMBL17316613 0.80 LMNA (0.49) LMNAKMT2APKMMEN1ALDH1A1
SCHEMBL17316803 0.80 CACNA1G (0.47) LMNAKMT2APKMMEN1ALDH1A1
SCHEMBL1861673 0.80 KMT2A (0.49) LMNAKCNJ1KCNH2KMT2APKM

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 6 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
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO 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 LMNA 4599/4885CYP3A4 531/4885CYP2C9 1293/4885

“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.