SCHEMBL1107472

SCHEMBL1107472

Cc1nc(CP(=O)(OC(C)C)OC(C)C)cs1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
PKM P14618 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
PNP P00491 1/20 0.36
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1107475 0.83 GABRA5 (0.42) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL1107431 0.79 SMN1; SMN2 (0.40) SLC6A3SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3556536 0.74 PGK1 (0.47) SLC6A3SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13044712 0.72 SLC6A3 (0.45) SLC6A3SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1140876 0.71 SIRT1 (0.43) SMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL968928 0.71
SCHEMBL1107480 0.71 PKM (0.39) SLC6A3SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1107468 0.71 PKM (0.39) SLC6A3SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9891675 0.71 PKM (0.39) SLC6A3SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL12530357 0.70 PKM (0.43) SLC6A3SMN1; SMN2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 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-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, MPO, GCK SLC6A3 2874/4885SMN1; SMN2 4603/4885NPC1 3660/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 SLC6A3 2729/4885SMN1; SMN2 4647/4885NPC1 3184/4885

“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.