SCHEMBL1107323

SCHEMBL1107323

Cc1ccc2c(C(=O)C(C)C)cn(C(C)C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PTGER1 P34995 2/20 0.37
TSHR P16473 1/20 0.37
KDM1A O60341 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NR1I2 O75469 1/20 0.35
EGFR P00533 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGS2 P35354 1/20 0.35
OPRD1 P41143 1/20 0.35
PDE4D Q08499 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL2669044 0.86 LMNA (0.41) ALDH1A1KDM1ALMNAHTTNR1I2
SCHEMBL2642568 0.86 CSNK2A1 (0.42) ALDH1A1KDM1ANR1I2EGFRADRA2A
SCHEMBL2642679 0.81 HTT (0.50) KDM1ALMNAHTTNTRK1
SCHEMBL17576060 0.79 KDM4E (0.43) ALDH1A1KDM1ALMNAHTTNR1I2
SCHEMBL16166767 0.79 LMNA (0.39) ALDH1A1TSHRLMNANR1I2EGFR
SCHEMBL2642329 0.72 ALDH1A1 (0.54) ALDH1A1LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL2706652 0.71 CA12 (0.41) ALDH1A1TSHRPTGS2CA12CA1
SCHEMBL1622103 0.71 MYC (0.42) ALDH1A1LMNAHTTCA12CA1
SCHEMBL2625195 0.71 KDM4E (0.46) ALDH1A1TSHRLMNAHTTSMN1; SMN2
SCHEMBL27611474 0.71 FFAR4 (0.33) ALDH1A1PTGER1KDM1ALMNANR1I2

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 10 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
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-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-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 (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 ALDH1A1 4045/4885PTGER1 4328/4885TSHR 787/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 ALDH1A1 4620/4885PTGER1 4149/4885TSHR 841/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 ALDH1A1 4539/4885PTGER1 4231/4885TSHR 892/4885

“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.