SCHEMBL5114461

SCHEMBL5114461

O=c1ccc2ccc(SOS(=O)(=O)C(F)(F)F)cc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 5/20 0.43
GAA P10253 4/20 0.43
STS P08842 1/20 0.43
MAOB P27338 3/20 0.43
CA12 O43570 10/20 0.41
CA9 Q16790 10/20 0.41
CA1 P00915 7/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
CA4 P22748 4/20 0.41
CA7 P43166 4/20 0.41
CA14 Q9ULX7 4/20 0.41
AKR1B1 P15121 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CA5A P35218 3/20 0.41
CA3 P07451 3/20 0.41
CA6 P23280 3/20 0.41
MCL1 Q07820 3/20 0.41
KMT2A Q03164 3/20 0.41

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
SCHEMBL6869587 0.80 GLA (0.41) GLAGAASTSMAOBCA12
SCHEMBL9432106 0.77 GLA (0.68) GLAGAASTSMAOBCA12
Hydrogen Sulfide SCHEMBL6878856 0.75 GLA (0.66) GLAGAASTSMAOBCA12
SCHEMBL3367268 0.75 GLA (0.43) GLAGAASTSMAOBCA12
Diphenylsulfane SCHEMBL5046254 0.74 MAOB (0.61) GLAGAASTSMAOBCA12
SCHEMBL7751957 0.74 MCL1 (0.54) GLAGAASTSMAOBCA12
SCHEMBL3684084 0.72 ALDH1A1 (0.33) GAACA1ALDH1A1CA2HSD11B1
SCHEMBL3374912 0.71 CA2 (0.36) CA12CA9CA1ALDH1A1CA7
SCHEMBL4249989 0.71 DNMT1 (0.40) GAACA12CA9CA1ALDH1A1
SCHEMBL4927293 0.70 CA12 (0.47) GLAGAASTSMAOBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 GLA 884/4885GAA 1801/4885STS 453/4885

“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.