SCHEMBL1107670

SCHEMBL1107670

COC[C@H](C)Oc1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
GCK P35557 10/20 0.53
AKR1C3 P42330 1/20 0.51
NR1H4 Q96RI1 2/20 0.50
RARA P10276 1/20 0.50
RARB P10826 1/20 0.50
FOLH1 Q04609 1/20 0.49
NR4A2 P43354 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47

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
SCHEMBL1263418 0.94 GCK (0.60) KMT2AGCKAKR1C3RARARARB
SCHEMBL9891691 0.88 MAOB (0.50) KMT2AGCK
SCHEMBL1263473 0.87 KMT2A (0.54) KMT2AGCKNR1H4RARARARB
SCHEMBL1107687 0.86 SMN1; SMN2 (0.49) KMT2AGCKMRGPRX4
SCHEMBL1107734 0.85 GCK (0.57) GCKRARARARB
SCHEMBL2666225 0.84 GCK (0.56) KMT2AGCKAKR1C3RARARARB
SCHEMBL1107704 0.84 GCK (0.68) GCKAKR1C3RARARARB
SCHEMBL931250 0.84 KMT2A (0.59) KMT2AAKR1C3NR1H4FOLH1NR4A2
SCHEMBL1263090 0.84 GCK (0.70) GCKAKR1C3RARARARB
SCHEMBL1107730 0.81 GCK (0.68) KMT2AGCKRARARARB

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
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
WO-2008005964-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO 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

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 KMT2A 2216/4885GCK 3/4885AKR1C3 1698/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 KMT2A 2344/4885GCK 2/4885AKR1C3 1240/4885

“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.