SCHEMBL149384

SCHEMBL149384

COc1ccc(O)c(S)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 2/20 0.55
GAA P10253 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
MCL1 Q07820 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ERN1 O75460 1/20 0.52
NPC1 O15118 4/20 0.48
RAB9A P51151 2/20 0.48
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 2/20 0.47
TRIM24 O15164 1/20 0.47
TYR P14679 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47

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
SCHEMBL2102755 0.82 NPC1 (0.53) ALDH1A1MEN1GAAKMT2ASMN1; SMN2
SCHEMBL6513965 0.80 NPC1 (0.52) ALDH1A1MEN1GAAKMT2ASMN1; SMN2
SCHEMBL6513971 0.80 NPC1 (0.52) ALDH1A1MEN1GAAKMT2ASMN1; SMN2
SCHEMBL6517392 0.80 NPC1 (0.52) ALDH1A1MEN1GAAKMT2ASMN1; SMN2
SCHEMBL29950410 0.78 ALDH1A1 (0.61) ALDH1A1MEN1GAAKMT2ASMN1; SMN2
SCHEMBL67498 0.78 ALDH1A1 (0.61) ALDH1A1MEN1GAAKMT2ASMN1; SMN2
SCHEMBL13066221 0.78 CA1 (0.50) ALDH1A1MEN1GAAKMT2ASMN1; SMN2
SCHEMBL2128103 0.77 ALDH1A1 (0.47) ALDH1A1KMT2AMCL1CA12CA1
SCHEMBL2132879 0.77 NQO1 (0.50) ALDH1A1MEN1GAAKMT2AKDM4E
SCHEMBL29763172 0.76 NPC1 (0.61) ALDH1A1MEN1GAAKMT2ASMN1; SMN2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106841160-B Method for rapidly detecting hypochlorous acid in cells in situ 华东理工大学 2020-04-17 CN claimed
US-9006391-B2 Method for the preparation of cyclopeptides DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2015-04-14 US disclosed
EP-2452944-B1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING THEM AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2014-09-10 EP disclosed
US-8569270-B2 Diphenyl sulfide derivatives and medicines containing same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
EP-2452944-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed
US-20120101068-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-04-26 US disclosed
US-8163770-B2 Benzoxathiin derivative MSD. K. K. (JP) 2012-04-24 US disclosed
US-8163770-B2 Benzoxathiin derivative MSD. K. K. (JP) 2012-04-24 US disclosed
US-8163770-B2 Benzoxathiin derivative MSD. K. K. (JP) 2012-04-24 US disclosed
EP-2427477-A1 METHOD FOR THE PREPARATION OF CYCLOPEPTIDES DSM Sinochem Pharmaceuticals Netherlands B.V. (NL) 2012-03-14 EP disclosed
US-20100168156-A1 Novel Benzoxathiine Derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168156-A1 Novel Benzoxathiine Derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-01 US disclosed
EP-1944301-A1 NOVEL BENZOXATHIIN DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP disclosed
EP-1944301-A1 NOVEL BENZOXATHIIN DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP disclosed
EP-0145494-B1 1,5-BENZOXATHIEPIN DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1989-11-08 EP disclosed
EP-0300088-A2 1,5-Benzoxathiepin derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-01-25 EP disclosed
US-4751316-A CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-06-14 US disclosed
US-4672064-A CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-09 US disclosed
EP-0145494-A2 1,5-Benzoxathiepin derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-06-19 EP disclosed
US-4308276-A Inhibiting lipogenesis with benzoxathiincarboxamides SHELL OIL COMPANY (US) 1981-12-29 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-20100168156-A1 Novel Benzoxathiine Derivative XDH, GPR119, BRIX1 ALDH1A1 1579/4885MEN1 4579/4885GAA 2878/4885
US-20120101068-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT S1PR3, S1PR1, S1PR2 ALDH1A1 1665/4885MEN1 1167/4885GAA 4436/4885

“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.