SCHEMBL191123

SCHEMBL191123

Cc1ccccc1Sc1ccnc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.41
IDO1 P14902 1/20 0.39
HAO1 Q9UJM8 1/20 0.38
MAPK10 P53779 1/20 0.38
GRM5 P41594 1/20 0.38
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
HTR2C P28335 1/20 0.34
HTR6 P50406 1/20 0.34
PIK3CA P42336 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL191129 0.85 ALDH1A1 (0.44) ARGRM5TRPA1ALDH1A1MAPK14
SCHEMBL191204 0.83 HPGD (0.44) HAO1GRM5TRPA1ALDH1A1TDP1
SCHEMBL191108 0.80 ITGB2 (0.39) GRM5TRPA1ICAM1HPGD
SCHEMBL190818 0.78 SIRT2 (0.44) GRM5TRPA1ALDH1A1
SCHEMBL191141 0.77 TRPA1 (0.47) IDO1GRM5TRPA1ALDH1A1TDP1
SCHEMBL191746 0.77 ALDH1A1 (0.40) GRM5TRPA1ALDH1A1HPGD
SCHEMBL192450 0.76 AR (0.39) ARGRM5TRPA1HTR2CHTR6
SCHEMBL190418 0.75 PKM (0.49) ALDH1A1TDP1
SCHEMBL25704500 0.74 SLC6A2 (0.58) ARIDO1GRM5ALDH1A1SLC6A2
SCHEMBL192475 0.72 L3MBTL1 (0.61) GRM5TRPA1ALDH1A1TDP1HPGD

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
EP-1986645-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2012-01-04 EP disclosed
US-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US disclosed
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 US disclosed
EP-1986645-A1 GLUCOKINASE ACTIVATORS Array Biopharma, Inc. (US) 2008-11-05 EP disclosed
WO-2007089512-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-08-09 WO 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-20090247526-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 AR 4276/4885IDO1 4132/4885HAO1 1855/4885

“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.