SCHEMBL13323956

SCHEMBL13323956

C=C(Oc1ccc(F)cc1F)C(=O)Nc1nc(CC(=O)Nc2ccc(F)cc2)c(Cl)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 2/20 0.52
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MET P08581 2/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ HPGD P15428 2/20 0.35

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
SCHEMBL13323735 0.81 MAPT (0.48) KDM4EALDH1A1NPSR1RAB9AGAA
SCHEMBL2656364 0.81 GCK (0.80) GCKKDM4EALDH1A1NPSR1RXFP1
SCHEMBL2656632 0.69 GCK (1.00) GCKCSNK1D
SCHEMBL2657136 0.69 GCK (0.65) GCKGAAMAPTMETSMN1; SMN2
SCHEMBL2655646 0.66 GCK (0.54) GCKALDH1A1HTTRAB9ANPC1
SCHEMBL2657524 0.66 GCK (0.80) GCKKDM4EALDH1A1HTTRAB9A
SCHEMBL2660257 0.66 GCK (0.53) GCKALDH1A1RAB9ANPC1MAPT
SCHEMBL13323732 0.64 SMN1; SMN2 (0.45) KDM4EALDH1A1HTTRAB9ANPC1
SCHEMBL2655826 0.64 GCK (0.82) GCK
SCHEMBL13323717 0.63 GCK (0.40) GCKALDH1A1HTTRAB9ANPC1

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 GCK 1/4885KDM4E 2843/4885ALDH1A1 924/4885

“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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