SCHEMBL3520176

SCHEMBL3520176

Cc1ccc([S+](c2ccc(C)cc2)c2ccc3ccc(=O)oc3c2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.40
CA9 Q16790 5/20 0.40
CA1 P00915 4/20 0.40
DRD4 P21917 3/20 0.39
DRD2 P14416 2/20 0.39
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 6/20 0.37
GLA P06280 6/20 0.37
GAA P10253 5/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 3/20 0.37
GBA1 P04062 1/20 0.37
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
AKR1B1 P15121 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3519463 0.90 DRD4 (0.41) CA12CA9CA1DRD4DRD2
SCHEMBL3524304 0.89 DRD4 (0.40) CA12CA9CA1DRD4DRD2
Trifluoromethanesulfonic Acid SCHEMBL3517953 0.89 CA12 (0.44) CA12CA9CA1DRD4DRD2
SCHEMBL3523369 0.82 CA12 (0.49) CA12CA9CA1DRD4DRD2
SCHEMBL271338 0.82 TLR9 (0.35) CA12CA9CA1ALDH1A1GAA
SCHEMBL562807 0.81 CA2 (0.36) CA9CA1ALDH1A1GAACA5A
SCHEMBL5114392 0.81 ALDH1A1 (0.54) CA12CA9CA1DRD4DRD2
Trifluoromethanesulfonic Acid SCHEMBL7038099 0.80 GPR3 (0.37) CA9CA1ALDH1A1GAACA5A
SCHEMBL3524255 0.79 PKM (0.37) CA12CA9DRD4ALDH1A1KDM4E
SCHEMBL3519395 0.78 KDM4E (0.48) CA12CA9CA1DRD4DRD2

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 6 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
EP-1481973-B1 HETEROCYCLE-BEARING ONIUM SALTS WAKO PURE CHEM IND LTD (JP) 2008-12-31 EP disclosed
EP-1953149-A2 A heterocycle-containing onium salt Wako Pure Chemical Industries, Ltd. (JP) 2008-08-06 EP 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 CA12 3023/4885CA9 704/4885CA1 1267/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA CA12 2139/4885CA9 1184/4885CA1 1258/4885

“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.