SCHEMBL1107609

SCHEMBL1107609

O=C(O)c1cc(OC2COC2)cc(OC2COC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
GRM5 P41594 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PLA2G2A P14555 1/20 0.38
TPMT P51580 1/20 0.38
KMO O15229 2/20 0.36
P2RX3 P56373 5/20 0.36

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
SCHEMBL26146675 0.89 TPMT (0.53) ALDH1A1LMNACASP3SENP8SENP6
SCHEMBL2668774 0.88 GCK (0.47) ALDH1A1KMT2AMEN1P2RX3P2RX2
SCHEMBL12594040 0.84 GRM5 (0.41) ALDH1A1LMNAPRKAB2PRKAG1PRKAA2
SCHEMBL29440998 0.83 AKR1C3 (0.53) KMT2AKMOEPHX2
SCHEMBL21609784 0.82 EPHX2 (0.46) ALDH1A1LMNACASP3SENP8SENP6
SCHEMBL25022827 0.77 KMT2A (0.44) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL31236736 0.76 KAT6A (0.39) ALDH1A1GRM5P2RX3P2RX2
SCHEMBL24071567 0.76 KAT6A (0.39) ALDH1A1GRM5P2RX3P2RX2
SCHEMBL17823718 0.75 P2RX3 (0.67) P2RX3P2RX2
SCHEMBL1107566 0.75 ALDH1A1 (0.45) ALDH1A1GRM5KMT2AMEN1P2RX3

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 5 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-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
WO-2008005964-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 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-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 ALDH1A1 4539/4885LMNA 4815/4885CASP3 2598/4885

“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.