SCHEMBL13323570

SCHEMBL13323570

CC(Oc1ccc(F)cc1F)(C(=O)NC1=NCC(Cl)S1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 3/20 0.38
▸ GPR6 P46095 8/20 0.35
▸ RORC P51449 2/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ PTGS2 P35354 3/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ PTGS1 P23219 2/20 0.32
▸ SLC6A4 P31645 1/20 0.32

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
SCHEMBL13323727 0.85 POLB (0.36) RORCADORA2APTGS2PTGS1
SCHEMBL13323747 0.83 ALDH1A1 (0.42) GCK
SCHEMBL13323953 0.82 GCK (0.40) GCKGPR6RORCBRD4
SCHEMBL13323726 0.81 POLB (0.44) PTGS2
SCHEMBL13323926 0.79 POLB (0.35) PTGS2
SCHEMBL2668334 0.78 GPR6 (0.41) GCKGPR6RORCPTGS2BRD4
SCHEMBL2656912 0.78 GPR6 (0.41) GCKGPR6RORCPTGS2BRD4
SCHEMBL2656202 0.77 GCK (0.49) GCKADORA2A
SCHEMBL2656198 0.77 GCK (0.50) GCKADORA2A
SCHEMBL2655672 0.77 BRD4 (0.49) GCKBRD4

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 1/4885GPR6 1001/4885RORC 4098/4885

“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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