SCHEMBL3139736

SCHEMBL3139736

Cc1cccc([S+](c2ccccc2)c2ccccc2)c1.c1ccc([Ga-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.39
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
ALOX12 P18054 1/20 0.36
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
ACP3 P15309 1/20 0.31
POLB P06746 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
SCHEMBL424809 0.88 ACHE (0.50) ACHENPSR1TSHRLMNAALOX12
Bromide SCHEMBL3143978 0.86 ACHE (0.48) ACHENPSR1TSHRLMNAALOX12
SCHEMBL3137296 0.82 ACHE (0.40) ACHETSHRLMNAALOX12CYP2C19
SCHEMBL3129419 0.82 ACHE (0.40) ACHETSHRLMNAALOX12CYP2C19
SCHEMBL3139372 0.81 ACHE (0.42) ACHENPSR1TSHRLMNAALOX12
Perchlorate SCHEMBL3136879 0.81 ACHE (0.42) ACHENPSR1TSHRLMNAALOX12
SCHEMBL3140198 0.80 ACHE (0.37) ACHENPSR1TSHRLMNAALOX12
SCHEMBL3130532 0.78 ACHE (0.39) ACHENPSR1TSHRLMNAALOX12
SCHEMBL3136348 0.77 CA4 (0.42) ACHELMNAALDH1A1CYP1A2CYP3A4
SCHEMBL3139354 0.76 CYP1A2 (0.33) ACHETSHRLMNAALOX12CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642368-B2 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-05 US disclosed
US-20070083060-A1 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2007-04-12 US disclosed
EP-1676835-A1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2006-07-05 EP 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-20070083060-A1 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid ARSA, HAO2, HAO1 ACHE 1775/4885NPSR1 1224/4885TSHR 1087/4885

“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.