SCHEMBL1864074

SCHEMBL1864074

CCOC(=O)C(=O)c1ccc(SC2CCCC2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.42
TAS1R1 Q7RTX1 3/20 0.42
HPGD P15428 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.40
CA2 P00918 5/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA4 P22748 4/20 0.36
CA6 P23280 4/20 0.36
CA7 P43166 4/20 0.36
CA9 Q16790 4/20 0.36
CA13 Q8N1Q1 4/20 0.36
CA14 Q9ULX7 4/20 0.36
CA5B Q9Y2D0 4/20 0.36

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
SCHEMBL2655589 0.95 TSHR (0.41) TAS1R3TAS1R1HPGDALDH1A1KMT2A
SCHEMBL4260216 0.82 HTT (0.39) TAS1R3TAS1R1HPGDALDH1A1KMT2A
SCHEMBL13033252 0.81 ALDH1A1 (0.38) HPGDALDH1A1KMT2AMEN1CA2
SCHEMBL2646305 0.80 TDP1 (0.40) TAS1R3TAS1R1ALDH1A1KMT2AMEN1
SCHEMBL1857913 0.80 CA2 (0.43) TAS1R3TAS1R1HPGDKMT2ATSHR
SCHEMBL13609529 0.80 L3MBTL1 (0.37) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL11233107 0.79 TSHR (0.42) TAS1R3TAS1R1ALDH1A1KMT2ATSHR
SCHEMBL11229659 0.78 TP53 (0.41) TAS1R3TAS1R1ALDH1A1TSHRMAPT
SCHEMBL11228084 0.78 TP53 (0.41) TAS1R3TAS1R1ALDH1A1TSHRMAPT
SCHEMBL2643972 0.75 TSHR (0.50) HPGDALDH1A1KMT2ATSHRMAPT

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 TAS1R3 2236/4885TAS1R1 2425/4885HPGD 635/4885

“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.