SCHEMBL1107442

SCHEMBL1107442

C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Cc1ccc(SC2CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.63
GAA P10253 1/20 0.53
OPRK1 P41145 10/20 0.44
CYP2D6 P10635 4/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
CCR5 P51681 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
OPRM1 P35372 3/20 0.40
OPRD1 P41143 3/20 0.40

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
SCHEMBL1861999 1.00 NPY5R (0.63) NPY5RGAAOPRK1CYP2D6CYP3A4
SCHEMBL2652609 1.00 NPY5R (0.63) NPY5RGAAOPRK1CYP2D6CYP3A4
SCHEMBL1107401 0.84 NPY5R (0.70) NPY5RGAAOPRK1CYP2D6CYP3A4
SCHEMBL2645649 0.84 NPY5R (0.70) NPY5RGAAOPRK1CYP2D6CYP3A4
SCHEMBL1859968 0.83 NPY5R (0.68) NPY5RGAAOPRK1CYP2D6CYP3A4
SCHEMBL1859971 0.83 NPY5R (0.68) NPY5RGAAOPRK1CYP2D6CYP3A4
SCHEMBL2668153 0.83 NPY5R (0.53) NPY5RGAAOPRK1CYP2D6CYP3A4
SCHEMBL8153290 0.83 NPY5R (0.78) NPY5RGAAOPRK1CYP2D6CYP3A4
SCHEMBL2668110 0.81 NPY5R (0.43) NPY5ROPRK1CYP2D6CYP3A4TSHR
SCHEMBL14285930 0.81 GAA (0.48) NPY5RGAACCR5KDM4EALDH1A1

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 37 patents — showing the first 20. 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-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-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-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
US-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 US disclosed
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
US-20080015358-A1 Fluorination Process of Protected Aminothiazole PROSIDION LIMITED (GB) 2008-01-17 US disclosed
US-20080015358-A1 Fluorination Process of Protected Aminothiazole PROSIDION LIMITED (GB) 2008-01-17 US disclosed
US-20080015358-A1 Fluorination Process of Protected Aminothiazole PROSIDION LIMITED (GB) 2008-01-17 US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
EP-1789396-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS Prosidion Limited (GB) 2007-05-30 EP disclosed
WO-2007051847-A1 TRICYCLO SUBSTITUTED AMIDES AS GLUCOKINASE MODULATORS PROSIDION LTD (GB) 2007-05-10 WO disclosed
EP-1740560-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS Prosidion Limited (GB) 2007-01-10 EP disclosed
WO-2006016194-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS PROSIDION LIMITED (GB) 2006-02-16 WO disclosed
WO-2005103021-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS PROSIDION LIMITED (GB) 2005-11-03 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 (4 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 NPY5R 1779/4885GAA 750/4885OPRK1 849/4885
US-20080015358-A1 Fluorination Process of Protected Aminothiazole GCK, KHK, GCKR NPY5R 3624/4885GAA 254/4885OPRK1 3409/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 NPY5R 1688/4885GAA 810/4885OPRK1 785/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 NPY5R 1676/4885GAA 1023/4885OPRK1 897/4885

“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.