SCHEMBL1858699

SCHEMBL1858699

COC(=O)C(CC1CCCO1)c1ccc(SC)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.43
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
SLC6A3 Q01959 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 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
SCHEMBL1858702 1.00 HPGD (0.43) HPGDKMT2AMEN1SLC6A3SMN1; SMN2
SCHEMBL1856163 0.89 SLC6A3 (0.46) HPGDSLC6A3L3MBTL1ALDH1A1HSD17B10
SCHEMBL2642616 0.84 HPGD (0.49) HPGDKMT2AMEN1SLC6A3SMN1; SMN2
SCHEMBL1865642 0.83 GCK (0.38)
SCHEMBL1860318 0.82 THRB (0.43) HPGDKMT2ASLC6A3SMN1; SMN2MAPT
SCHEMBL1860317 0.82 THRB (0.43) HPGDKMT2ASLC6A3SMN1; SMN2MAPT
SCHEMBL2642191 0.81 SLC6A3 (0.58) KMT2AMEN1SLC6A3SMN1; SMN2L3MBTL1
SCHEMBL2642104 0.79 GAA (0.41) HPGDKMT2AL3MBTL1ALDH1A1NPSR1
SCHEMBL2643552 0.78 SLC6A3 (0.64) SLC6A3
SCHEMBL2642859 0.77 HPGD (0.42) HPGDKMT2AMEN1SLC6A3MAPT

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 5 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
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 HPGD 635/4885KMT2A 4296/4885MEN1 4026/4885

“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.