SCHEMBL13323547

SCHEMBL13323547

C=C(Nc1ccc(F)cc1F)C(=O)Nc1ncc(Cl)s1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.45
▸ MAPK12 P53778 1/20 0.45
▸ MAPK11 Q15759 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PRSS12 P56730 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ TAS1R2 Q8TE23 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL2655423 0.77 FFAR2 (0.44) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL2668379 0.71 SCN9A (0.42) PRSS12ALOX15
SCHEMBL1342247 0.70 NPC1 (0.42) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL10703849 0.70 HTT (0.57) NPC1RAB9APOLBALDH1A1CYP2C19
SCHEMBL2656409 0.70 GCK (0.51) PRSS12ALOX15
SCHEMBL2654866 0.69 GCK (0.65) —
SCHEMBL29835246 0.68 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14PRSS12
SCHEMBL9957394 0.68 GPR6 (0.44) —
SCHEMBL1341739 0.67 IDH2 (0.44) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL12101108 0.67 NPC1 (0.58) NPC1RAB9APOLBALDH1A1CYP2C19

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 MAPK13 814/4885MAPK12 996/4885MAPK11 1512/4885

“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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