Sugi Predict

Sugi Predict / Compounds / SCHEMBL4643198

SCHEMBL4643198

SCHEMBL4643198

O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([I+]c4ccc(Sc5ccc([S+](c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA13 Q8N1Q1 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ STAT3 P40763 1/20 0.31
▸ MMP3 P08254 1/20 0.30
▸ MMP8 P22894 1/20 0.30
▸ MMP13 P45452 1/20 0.30

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
SCHEMBL4641729 0.99 CA12 (0.36) CA12CA1CA2CA7CA13
SCHEMBL2895702 0.91 CA12 (0.44) CA12CA1CA2CA7CA13
SCHEMBL6023163 0.89 CA12 (0.32) CA12CA1CA2CA7CA13
SCHEMBL4644451 0.89 DNMT1 (0.32) ALDH1A1
SCHEMBL4644024 0.88 CA12 (0.30) CA12CA1CA2
SCHEMBL4643214 0.87 MMP1 (0.37) CA12CA1CA2CA7CA13
SCHEMBL4641404 0.86 CA12 (0.32) CA12CA1CA2CA7CA13
SCHEMBL4643514 0.86 CA12 (0.30) CA12CA1CA2CA7CA13
SCHEMBL4644454 0.86 CA12 (0.30) CA12CA1CA2CA7CA13
SCHEMBL4643823 0.85 CA1 (0.37) CA12CA1CA2CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443042-B1 HYBRID ONIUM SALT WAKO PURE CHEM IND LTD (JP) 2008-08-13 — — EP claimed
US-7101918-B2 Hybrid type onium salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-05 — — US claimed
US-20050020710-A1 Hybrid onium salt WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) 2005-01-27 — — US claimed
EP-1443042-A1 HYBRID ONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2004-08-04 — — EP claimed
EP-1443042-B1 HYBRID ONIUM SALT WAKO PURE CHEM IND LTD (JP) 2008-08-13 — — EP disclosed
US-7101918-B2 Hybrid type onium salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-05 — — US disclosed
US-20050020710-A1 Hybrid onium salt WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) 2005-01-27 — — US disclosed
EP-1443042-A1 HYBRID ONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2004-08-04 — — EP disclosed