SCHEMBL13323747

SCHEMBL13323747

CC(Oc1ccc(F)cc1F)(C(=O)NC1=NCCS1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GCK P35557 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 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
SCHEMBL13323570 0.83 GCK (0.38) GCK
SCHEMBL2656912 0.80 GPR6 (0.41) ALDH1A1L3MBTL1MAPTPOLBGCK
SCHEMBL2668334 0.80 GPR6 (0.41) ALDH1A1L3MBTL1MAPTPOLBGCK
SCHEMBL2655672 0.79 BRD4 (0.49) KMT2AMEN1GAAL3MBTL1GCK
SCHEMBL2656198 0.79 GCK (0.50) GCK
SCHEMBL2655760 0.79 GCK (0.38) GCK
SCHEMBL2655933 0.78 GCK (0.49) KMT2AMEN1SMN1; SMN2L3MBTL1GCK
SCHEMBL9071231 0.78 GPR6 (0.37) GCK
SCHEMBL13323938 0.78 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1GAAHSD17B10
SCHEMBL2656202 0.78 GCK (0.49) POLBGCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144772-A1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-06-10 — — 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 (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-20100144772-A1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION GCK, GCKR, GALK1 ALDH1A1 924/4885KMT2A 1480/4885MEN1 4231/4885

“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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