SCHEMBL2669302

SCHEMBL2669302

CC(C)(C)OC(=O)NC(CC(F)(F)F)C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.45
▸ PTK2 Q05397 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL30135193 0.91 L3MBTL1 (0.52) TRPA1TSHRL3MBTL1MAPK1TDP1
SCHEMBL17571407 0.88 TSHR (0.56) TRPA1TSHRL3MBTL1MAPK1TDP1
SCHEMBL2669321 0.80 AAK1 (0.47) TRPA1TSHRL3MBTL1MAPK1TDP1
SCHEMBL28041 0.78 PTK2 (0.61) TRPA1TSHRL3MBTL1MAPK1TDP1
SCHEMBL14497054 0.77 TRPA1 (0.47) TRPA1TSHRL3MBTL1MAPK1TDP1
SCHEMBL5543004 0.77 TRPA1 (0.47) TRPA1TSHRL3MBTL1MAPK1TDP1
SCHEMBL2669303 0.75 L3MBTL1 (0.53) TSHRL3MBTL1MAPK1TDP1PTK2
SCHEMBL30135218 0.75 SCN9A (0.43) KDM4EALDH1A1
SCHEMBL14496988 0.74 TRPA1 (0.51) TRPA1TSHRL3MBTL1MAPK1TDP1
SCHEMBL14496962 0.74 TRPA1 (0.51) TRPA1TSHRL3MBTL1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034822-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2011-10-11 — — US disclosed
WO-2007104034-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-09-13 — — WO disclosed
US-20070213349-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-09-13 — — US disclosed
US-20070213349-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-09-13 — — 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 (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-20070213349-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 TRPA1 4472/4885TSHR 3402/4885L3MBTL1 4723/4885

“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.

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