SCHEMBL1107640

SCHEMBL1107640

Cc1nc(COP(C)(C)=O)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
XBP1 P17861 1/20 0.42
MCL1 Q07820 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1107550 0.83 PKM (0.44) PKMNPC1RAB9ASMN1; SMN2POLB
SCHEMBL4134899 0.78 PKM (0.45) PKMNPC1RAB9ASMN1; SMN2POLB
SCHEMBL17635760 0.77
SCHEMBL6968533 0.77 PKM (0.47) PKMNPC1RAB9ASMN1; SMN2POLB
SCHEMBL791669 0.75
SCHEMBL1107468 0.75 PKM (0.39) PKMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9891675 0.75 PKM (0.39) PKMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1107480 0.75 PKM (0.39) PKMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4120824 0.74 PKM (0.39) PKMNPC1RAB9ASMN1; SMN2POLB
SCHEMBL4120827 0.74 PKM (0.42) PKMNPC1RAB9ASMN1; SMN2POLB

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 PKM 222/4885NPC1 3660/4885RAB9A 1193/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 PKM 154/4885NPC1 3184/4885RAB9A 982/4885

“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.