SCHEMBL3521988

SCHEMBL3521988

O=C(OS(c1ccccc1)(c1ccccc1)c1ccc2ccc(=O)oc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
CA12 O43570 5/20 0.40
CA9 Q16790 5/20 0.40
POLB P06746 3/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
DRD4 P21917 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
GLA P06280 3/20 0.36
GAA P10253 3/20 0.36

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
SCHEMBL3518314 1.00 MAOB (0.42) MAOBCA12CA9POLBKMT2A
SCHEMBL5034546 0.96 MAOB (0.44) MAOBCA12CA9POLBKMT2A
SCHEMBL4962467 0.81 CA1 (0.45) POLBKMT2AHTTCA1CA2
SCHEMBL4962907 0.81 CA1 (0.45) POLBKMT2AHTTCA1CA2
SCHEMBL4964420 0.81 CA1 (0.45) POLBKMT2AHTTCA1CA2
SCHEMBL4962506 0.81 CA1 (0.45) POLBKMT2AHTTCA1CA2
SCHEMBL3524403 0.81 CA9 (0.51) MAOBCA12CA9POLBKMT2A
SCHEMBL1573977 0.80 CA1 (0.43) POLBKMT2AHTTCA1CA2
SCHEMBL3524309 0.80 MAOB (0.46) MAOBCA12CA9POLBKMT2A
SCHEMBL3521295 0.79 TTR (0.44) POLBKMT2AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833691-B2 Heterocycle-bearing onium salts WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-16 US disclosed
US-20080161520-A1 Heterocycle-bearing onium salts WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-07-03 US disclosed
US-7318991-B2 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-15 US disclosed
US-20050233253-A1 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 2005-10-20 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 (2 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-20050233253-A1 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether NOX4, CBR1, CBR3 MAOB 1286/4885CA12 3023/4885CA9 704/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA MAOB 1248/4885CA12 2139/4885CA9 1184/4885

“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.