SCHEMBL6665571

SCHEMBL6665571

c1cc(Sc2ccsc2)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.38
CYP2B6 P20813 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CYP2E1 P05181 1/20 0.38
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
DAO P14920 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
HDAC1 Q13547 1/20 0.32
CYP3A4 P08684 2/20 0.32
NR1H2 P55055 1/20 0.32
DDAH1 O94760 1/20 0.32
NOS1 P29475 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6962205 0.87 CYP2E1 (0.46) CYP2A6CYP2B6CYP2E1LCKFYN
SCHEMBL11381667 0.84 CYP2A6 (0.36) CYP2A6CYP2B6L3MBTL1CES2CES1
SCHEMBL177835 0.83 CYP3A4 (0.64) TAAR1CYP3A4NR1H2TSHRMAPK1
SCHEMBL29521773 0.79 CYP2A6 (0.33) CYP2A6CYP2B6L3MBTL1CES2CES1
SCHEMBL1146010 0.79
SCHEMBL28867994 0.79 CYP2A6 (0.33) CYP2A6CYP2B6L3MBTL1CES2CES1
SCHEMBL28243869 0.78 CYP2E1 (0.39) CYP2A6CYP2B6CYP2E1MAPK1
SCHEMBL28206584 0.78 CYP2E1 (0.39) CYP2A6CYP2B6CYP2E1MAPK1
SCHEMBL19220746 0.77
SCHEMBL28017676 0.77 L3MBTL1 (0.32) CYP2A6CYP2B6L3MBTL1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107115383-B Skin care/treatment composition having skin xerosis syndrome preventing and treating effect 成都华西珐玛生物科技有限公司 2021-04-27 CN disclosed
CN-107260811-B Skin care/treatment composition with acne prevention and treatment effects 成都华西珐玛生物科技有限公司 2020-12-22 CN disclosed
CN-107158086-B Skin care/treatment composition having itch relieving effect 成都华西珐玛生物科技有限公司 2020-08-25 CN disclosed
CN-110857385-A Composition and preparation method and application thereof 科思创德国股份有限公司 2020-03-03 CN disclosed
CN-104725172-B A kind of synthetic method of aryl thioethers class compound 华东师范大学 2017-03-01 CN disclosed
CN-104725172-A Synthetic method of aryl sulfide type compound UNIV EAST CHINA NORMAL 2015-06-24 CN disclosed
US-20090137789-A1 Oligonucleotide Probes CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2009-05-28 US disclosed
US-20090137789-A1 Oligonucleotide Probes CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2009-05-28 US disclosed
EP-0910362-B1 OXA ACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PROD INC (US) 2004-10-27 EP disclosed
EP-0910331-B1 OXA DIACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PROD INC (US) 2004-09-08 EP disclosed
US-5847003-A Oxa acids and related compounds for treating skin conditions AVON PRODUCTS, INC. (US) 1998-12-08 US disclosed
WO-1998050004-A1 ASCORBYL-PHOSPHORYL-CHOLESTEROL AVON PRODUCTS, INC. (US) 1998-11-12 WO disclosed
US-5834513-A TOPICAL COMPOSITION FOR TREATING SKIN CONDITIONS CHARACTERIZED BY ABNORMAL DESQUAMATION AVON PRODUCTS, INC. (US) 1998-11-10 US disclosed
WO-1997046231-A1 OXA ACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PRODUCTS, INC. (US) 1997-12-11 WO disclosed
WO-1997039726-A1 OXA DIACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PRODUCTS, INC. (US) 1997-10-30 WO disclosed
EP-0073562-B1 HERBICIDAL TRIAZOLE UREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-11-09 EP disclosed
US-4425155-A 1,2,4-TRIAZINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-01-10 US disclosed
US-4421550-A PRE- AND POSTEMERGENCE E. I. DU PONT DE NEMOURS & CO. (US) 1983-12-20 US disclosed
EP-0073562-A2 Herbicidal triazole ureas E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-03-09 EP disclosed
US-4294838-A ANTIBRONCHOSPASMOLYTIC AGENTS WARNER-LAMBERT COMPANY, A CORP. OF DE 1981-10-13 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 (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-20090137789-A1 Oligonucleotide Probes NCL, RNGTT, NSUN3 CYP2A6 3506/4885CYP2B6 2532/4885L3MBTL1 57/4885

“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.