SCHEMBL2668246

SCHEMBL2668246

CS(=O)(=O)c1ccc(Oc2cc(N)cc(Oc3ccc(S(C)(=O)=O)cc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NLRP3 Q96P20 1/20 0.50
ALDH1A1 P00352 3/20 0.48
HTT P42858 3/20 0.48
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47
PTGS2 P35354 1/20 0.47
GCK P35557 8/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL12070248 0.89 GCK (0.60) GCK
SCHEMBL2668134 0.89 ENPP2 (0.47) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL178009 0.86 ALDH1A1 (0.58) NPC1RAB9AALDH1A1HTTPTGS2
SCHEMBL2668144 0.85 GCK (0.46) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL9071202 0.85 GCK (0.56) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL9071200 0.85 PTGS2 (0.46) ALDH1A1HTTPTGS2
SCHEMBL11547843 0.84 HTT (0.58) NPC1RAB9AALDH1A1HTTPTGS2
SCHEMBL12678178 0.83 GCK (0.57) GCK
SCHEMBL2664261 0.83 SMN1; SMN2 (0.52) ALDH1A1HTTPTGS2GCKSMN1; SMN2
SCHEMBL12070391 0.82 GCK (0.56) GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173717-B9 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
EP-2173717-B1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL MYERS SQUIBB CO (US) 2013-03-27 EP disclosed
US-8273777-B2 Glucokinase activators and methods of using same BRISTOL-MEYER SQUIBB COMPANY (US) 2012-09-25 US disclosed
US-8273777-B2 Glucokinase activators and methods of using same BRISTOL-MEYER SQUIBB COMPANY (US) 2012-09-25 US disclosed
US-20100324071-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2010-12-23 US disclosed
US-20100324071-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2010-12-23 US disclosed
WO-2009018065-A2 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 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 (1 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-20100324071-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, HK1 MEN1 3015/4885KMT2A 2271/4885NPC1 3627/4885

“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.