SCHEMBL1107747

SCHEMBL1107747

CCOP(C)(=O)C(C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARD Q03181 2/20 0.34
ACHE P22303 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL1107313 0.79
SCHEMBL403439 0.77 TSHR (0.46) TSHRTP53TDP1PPARDPOLB
SCHEMBL12594467 0.76 TSHR (0.40) TSHRTP53TDP1PPARDPOLB
SCHEMBL25547581 0.75 TSHR (0.43) TSHRTP53TDP1PPARD
SCHEMBL1107289 0.75
SCHEMBL8357160 0.73 TSHR (0.42) TSHRTP53TDP1PPARD
SCHEMBL12456072 0.73 TSHR (0.42) TSHRTP53TDP1PPARDACHE
SCHEMBL7194893 0.72 TSHR (0.32) TSHRTP53TDP1PPARD
SCHEMBL6942206 0.72 ALDH1A1 (0.32) TSHRTP53TDP1PPARDPOLB
SCHEMBL12456032 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029939-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 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

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 TSHR 787/4885TP53 4367/4885TDP1 4464/4885
US-20130029939-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, HK1 TSHR 1075/4885TP53 3885/4885TDP1 2407/4885

“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.