SCHEMBL12305545

SCHEMBL12305545

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
CYP1A2 P05177 2/20 0.49
RAB9A P51151 2/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
HSD17B2 P37059 1/20 0.48
LMNA P02545 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
KDM4E B2RXH2 3/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HCRTR1 O43613 2/20 0.44

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
SCHEMBL403261 0.86 CA12 (0.51) ALDH1A1CA12CA1CA2CA7
SCHEMBL12305564 0.84 CA12 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL5364276 0.83 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL3256021 0.82 CA12 (0.61) ALDH1A1CA12CA1CA2CA7
SCHEMBL19317256 0.81 CA12 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL3258137 0.80 CA12 (0.59) ALDH1A1CA12CA1CA2CA7
SCHEMBL21376220 0.80 HSD17B2 (0.61) ALDH1A1CA12CA1CA2CA7
SCHEMBL190911 0.79 CA12 (0.72) ALDH1A1CA12CA1CA2CA7
SCHEMBL12333389 0.79 CA12 (0.57) ALDH1A1CA12CA1CA2CA7
SCHEMBL30375337 0.78 CA12 (0.56) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431713-B2 2-aminopyridine derivatives as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2013-04-30 US disclosed
US-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US disclosed
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-04-22 US disclosed
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 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-20090247526-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 ALDH1A1 1869/4885CA12 4809/4885CA1 4559/4885
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 ALDH1A1 820/4885CA12 4607/4885CA1 4094/4885

“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.