Hydrogen Sulfide

Hydrogen Sulfide

SCHEMBL3139953

Cc1ccc(-c2cccc(Br)c2-c2ccc(C)cc2)cc1.S

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.40
ENPP1 P22413 1/20 0.40
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35

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
SCHEMBL18462293 0.98 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL1043440 0.85 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL18462106 0.81 HSD11B1 (0.41) NPC1RAB9ASMN1; SMN2MAPK1NFKB1
SCHEMBL1042409 0.79 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL1047461 0.79 ALDH1A1 (0.65) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL31512410 0.79 ALDH1A1 (0.65) RAB9ASMN1; SMN2MAPK1TP53NFKB1
SCHEMBL7525871 0.79 ALDH1A1 (0.65) RAB9ASMN1; SMN2MAPK1TP53NFKB1
SCHEMBL29883684 0.77 KIF11 (0.38) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL3355657 0.77 ENPP1 (0.42) NPC1RAB9AENPP1PTGS2PTGS1
Water SCHEMBL29289411 0.77 ALDH1A1 (0.62) RAB9ASMN1; SMN2MAPK1TP53NFKB1

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
EP-1676835-B1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT WAKO PURE CHEM IND LTD (JP) 2014-12-10 EP disclosed
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 NPC1 4467/4885RAB9A 1824/4885SMN1; SMN2 4541/4885

“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.