SCHEMBL3522339

SCHEMBL3522339

S=c1c2ccccc2oc2c([S+](c3ccccc3)c3ccccc3)cccc12.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
CSF1R P07333 1/20 0.31
PDGFRB P09619 1/20 0.31
MAPT P10636 1/20 0.31
KIT P10721 1/20 0.31
FLT3 P36888 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PPARG P37231 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NR2E3 Q9Y5X4 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL3521324 0.84 MAOA (0.49) MEN1MAPTKMT2AALDH1A1MAOA
Trifluoromethanesulfonic Acid SCHEMBL3519717 0.81 MAOA (0.33) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL3523127 0.79 RXFP1 (0.36) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL5040537 0.79 MAPT (0.33) MEN1CSF1RPDGFRBMAPTKIT
SCHEMBL3522256 0.78 NPC1 (0.33) MEN1MAPTKMT2AALDH1A1MAOA
SCHEMBL3524443 0.76
SCHEMBL3517315 0.74 CYP2A6 (0.40) MAPTALDH1A1MAOA
SCHEMBL3521004 0.72 MAOB (0.39) MEN1MAPTKMT2AALDH1A1PPARG
SCHEMBL3140894 0.71 ALDH1A1 (0.33) MEN1MAPTKMT2AALDH1A1
SCHEMBL1127634 0.68 NPC1 (0.34) MAPTALDH1A1MAOA

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 5 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-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 MEN1 1499/4885CSF1R 2679/4885PDGFRB 2060/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA MEN1 417/4885CSF1R 2237/4885PDGFRB 1057/4885

“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.