SCHEMBL1448096

SCHEMBL1448096

O=S(=O)(CCN1CCOCC1)c1cc[c]cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
EPHX2 P34913 3/20 0.47
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
LOX P28300 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL17290732 0.84 KMT2A (0.50) KMT2AMEN1EPHX2GAAHTT
Hydrochloric Acid SCHEMBL11529235 0.83 KMT2A (0.97) KMT2AMEN1EPHX2GAAHTT
SCHEMBL2920100 0.81 MEN1 (0.72) KMT2AMEN1EPHX2GAAPOLB
SCHEMBL11535141 0.81 MEN1 (0.72) KMT2AMEN1EPHX2POLBMAPT
SCHEMBL3517085 0.81 KMT2A (0.72) KMT2AMEN1EPHX2HTTPOLB
SCHEMBL1939359 0.81 KMT2A (0.72) KMT2AMEN1EPHX2GAARAB9A
SCHEMBL5261643 0.81 KMT2A (0.72) KMT2AMEN1EPHX2GAAPOLB
SCHEMBL11531653 0.81 MEN1 (0.72) KMT2AMEN1EPHX2POLBRAB9A
SCHEMBL4353767 0.78 PKM (0.66) KMT2AEPHX2POLBSIGMAR1ALDH1A1
SCHEMBL12015818 0.78 KMT2A (0.67) KMT2AMEN1EPHX2RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP claimed
US-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US claimed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO claimed
US-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2011-06-16 US claimed
EP-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
US-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2011-06-16 US disclosed
WO-2011030139-A1 4- (PYRIMIDIN-2-YL) -PIPERAZINE AND 4- (PYRIMIDIN-2-YL) -PIPERIDINE DERIVATIVES AS GPR119 MODULATORS ASTRAZENECA AB (SE) 2011-03-17 WO disclosed
US-20110065706-A1 Therapeutic Agents 812 ASTRAZENECA AB (SE) 2011-03-17 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 (2 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-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 KMT2A 1524/4885MEN1 2759/4885EPHX2 4407/4885
US-20110065706-A1 Therapeutic Agents 812 GPR119, GPR84, GPR132 KMT2A 2374/4885MEN1 3914/4885EPHX2 1831/4885

“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.