SCHEMBL3890487

SCHEMBL3890487

OCCc1cccc(SCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
HTR2C P28335 1/20 0.46
HTR6 P50406 1/20 0.46
DAO P14920 1/20 0.43
SLC6A4 P31645 1/20 0.42
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IDO1 P14902 1/20 0.40
DHFR P00374 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
SCN9A Q15858 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3902642 0.85 MAOA (0.50) MAOAMAOBDAOSLC6A4CYP3A4
SCHEMBL16293753 0.82 HTR6 (0.69) MAOAMAOBHTR2CHTR6SLC6A4
SCHEMBL3892154 0.81 TDP1 (0.61) TDP1MAOAMAOBSLC6A4CYP3A4
Bromide SCHEMBL16295457 0.81 HTR6 (0.67) MAOAMAOBHTR2CHTR6SLC6A4
SCHEMBL1710559 0.79 HTR6 (0.56) MAOAMAOBHTR2CHTR6SLC6A4
SCHEMBL7234763 0.79 HDAC3 (0.59) TDP1MAOAMAOB
SCHEMBL7845531 0.79 TDP1 (0.50) TDP1CYP4F2CYP4A11HTR2CHTR6
SCHEMBL30990576 0.78 TP53 (0.54) MAOAMAOBHTR2CHTR6DAO
SCHEMBL13459307 0.78 LOXL2 (0.54) MAOAMAOBHTR2CHTR6DAO
SCHEMBL9454156 0.78 MAOA (0.50) MAOAMAOBHTR2CHTR6DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 US claimed
EP-1812386-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2007-08-01 EP claimed
WO-2006043797-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS KANG HEONJOONG (KR) 2006-04-27 WO claimed
US-20220389031-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2022-12-08 US disclosed
US-20220389031-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2022-12-08 US disclosed
US-20220289766-A1 MACROCYCLIC SULFONYLUREA DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2022-09-15 US disclosed
EP-4013762-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS Inflazome Limited (IE) 2022-06-22 EP disclosed
EP-4013761-A1 MACROCYCLIC SULFONYLUREA DERIVATIVES USEFUL AS NLRP3 INHIBITORS Inflazome Limited (IE) 2022-06-22 EP disclosed
CN-114555609-A Macrocyclic sulfonamide derivatives useful as NLRP3 inhibitors 英夫拉索姆有限公司 2022-05-27 CN disclosed
CN-114401971-A Macrocyclic sulfonylurea derivatives as NLRP3 inhibitors 英夫拉索姆有限公司 2022-04-26 CN disclosed
WO-2021032588-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2021-02-25 WO disclosed
WO-2021032588-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2021-02-25 WO disclosed
WO-2021032591-A1 MACROCYCLIC SULFONYLUREA DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2021-02-25 WO disclosed
WO-2021032591-A1 MACROCYCLIC SULFONYLUREA DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2021-02-25 WO disclosed
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 US disclosed
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 US disclosed
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 US disclosed
EP-1812386-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2007-08-01 EP disclosed
WO-2006043797-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS KANG HEONJOONG (KR) 2006-04-27 WO 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 (3 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-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS TST, ARSA, STS TDP1 4840/4885MAOA 732/4885MAOB 492/4885
US-20220289766-A1 MACROCYCLIC SULFONYLUREA DERIVATIVES USEFUL AS NLRP3 INHIBITORS NLRP3, NOD1, PYCARD TDP1 1302/4885MAOA 4529/4885MAOB 4346/4885
US-20220389031-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS NLRP3, NOD1, PYCARD TDP1 1152/4885MAOA 4145/4885MAOB 4300/4885

“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.