Sugi Predict

Sugi Predict / Compounds / SCHEMBL9892935

SCHEMBL9892935

SCHEMBL9892935

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PDE5A O76074 5/20 0.32
▸ FDPS P14324 1/20 0.31
▸ PDE1A P54750 2/20 0.31
▸ PDE1B Q01064 2/20 0.31
▸ PDE1C Q14123 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ CYP1A2 P05177 2/20 0.30
▸ CYP2C19 P33261 2/20 0.30
▸ NPC1 O15118 2/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 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
SCHEMBL1107438 0.81 MAPT (0.37) MAPTMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL1141152 0.81 PI4KB (0.39) SMN1; SMN2
SCHEMBL1107478 0.80 MAPT (0.40) MAPTMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL972952 0.71 MAPT (0.38) MAPTMAPK1
SCHEMBL1138144 0.68 NPC1 (0.37) MAPTMAPK1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL10541430 0.64 CYP1A2 (0.40) MAPTMAPK1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL28002410 0.62 MAPK1 (0.64) MAPTMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL13879960 0.62 CYP1A2 (0.69) MAPTMAPK1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL15032899 0.61 TSHR (0.52) MAPTMAPK1
SCHEMBL13879764 0.60 CYP1A2 (0.69) MAPTMAPK1SMN1; SMN2CYP1A2CYP2C19

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-2059522-B1 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2014-01-08 — — EP disclosed
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
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 — — US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 — — 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 (3 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 565/4885PDE5A 1741/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 MAPT 4511/4885MAPK1 655/4885PDE5A 2402/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 MAPT 4446/4885MAPK1 558/4885PDE5A 2350/4885

“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.