SCHEMBL1107438

SCHEMBL1107438

CCOP(=O)(CC(O)c1csc(C)n1)OCC

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.33
PTPRB P23467 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
PPARD Q03181 1/20 0.32
TSHR P16473 2/20 0.32
TLR7 Q9NYK1 1/20 0.31
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1107478 0.84 MAPT (0.40) MAPTMAPK1SMN1; SMN2HTTPOLB
SCHEMBL9892935 0.81 MAPT (0.34) MAPTMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL972952 0.75 MAPT (0.38) MAPTMAPK1POLBPPARDTSHR
SCHEMBL26742797 0.74 SMN1; SMN2 (0.33) MAPTSMN1; SMN2PTPRBPOLBHPGD
SCHEMBL8880562 0.73 TAAR1 (0.35) MAPTMAPK1SMN1; SMN2PTPRBPOLB
SCHEMBL4120823 0.72 HMGCR (0.34) MAPTSMN1; SMN2HTTPOLBNPSR1
SCHEMBL2669133 0.71 RAB9A (0.33) MAPTSMN1; SMN2PTPRBHTTPOLB
SCHEMBL1107431 0.71 SMN1; SMN2 (0.40) MAPTSMN1; SMN2HTTTSHRMEN1
SCHEMBL12574456 0.67 SMN1; SMN2 (0.35) MAPTSMN1; SMN2HTTPOLBTSHR
SCHEMBL27486842 0.67 MEN1 (0.42) MAPTMAPK1SMN1; SMN2PTPRBPOLB

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 MAPT 4710/4885MAPK1 565/4885SMN1; SMN2 4603/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 MAPT 4446/4885MAPK1 558/4885SMN1; SMN2 4647/4885

“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.