Sugi Predict

Sugi Predict / Compounds / SCHEMBL8363372

SCHEMBL8363372

SCHEMBL8363372

CSc1sc(C(=N)N)cc1S(=O)(=O)c1ccc2c(c1)ncn2Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ C1S P09871 20/20 1.00
▸ F10 P00742 1/20 0.54
▸ PRSS1 P07477 1/20 0.54
▸ PRSS2 P07478 1/20 0.54
▸ PRSS3 P35030 1/20 0.54

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
Trifluoroacetic Acid SCHEMBL5841478 0.94 C1S (0.89) C1SF10PRSS1PRSS2PRSS3
SCHEMBL8361016 0.93 C1S (1.00) C1S
Trifluoroacetic Acid SCHEMBL5840190 0.88 C1S (0.89) C1SF10PRSS1PRSS2PRSS3
SCHEMBL8361012 0.85 C1S (1.00) C1SF10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL5844640 0.85 C1S (0.88) C1SF10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL5841189 0.81 C1S (0.90) C1SF10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL5841522 0.79 C1S (0.90) C1SF10PRSS1PRSS2PRSS3
SCHEMBL5839560 0.77 C1S (0.79) C1SF10PRSS1PRSS2PRSS3
SCHEMBL6926736 0.76 C1S (1.00) C1S
SCHEMBL8362856 0.76 C1S (1.00) C1SF10PRSS1PRSS2PRSS3

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
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 — — WO disclosed