SCHEMBL191049

SCHEMBL191049

Cc1csc(Nc2cc(Oc3cccc(C(=O)NCCCN4CCOCC4)c3)ccn2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.50
GAA P10253 2/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.50
GCK P35557 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAF1 P04049 1/20 0.45
BRAF P15056 1/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDR P35968 1/20 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
Hydrochloric Acid SCHEMBL190824 0.99 GAA (0.49) CYP2C9GAACYP2C19LMNAGCK
SCHEMBL2668179 0.88 CYP2D6 (0.49) CYP2C9GAALMNASMN1; SMN2CYP2D6
SCHEMBL9072901 0.88 GCK (0.52) CYP2C9CYP2C19GCKSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL190877 0.88 CYP2D6 (0.48) CYP2C9GAALMNASMN1; SMN2CYP2D6
Hydrochloric Acid SCHEMBL190742 0.88 GCK (0.51) CYP2C9CYP2C19GCKSMN1; SMN2NPC1
SCHEMBL9072669 0.87 GAA (0.49) GAALMNASMN1; SMN2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL191589 0.87 GAA (0.49) GAALMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL2668175 0.81 GCK (0.55) GCKSMN1; SMN2NPC1
SCHEMBL2667971 0.81 GCK (0.54) LMNAGCKSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL190369 0.81 GCK (0.54) GCKSMN1; SMN2NPC1

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 6 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-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
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 US 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 CYP2C9 3835/4885GAA 35/4885CYP2C19 3233/4885

“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.