SCHEMBL3887568

SCHEMBL3887568

[O-][n+]1c(SS)cnc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ATM Q13315 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL864536 0.76 CRHBP (0.37) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL27913228 0.72 CRHBP (0.40) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL11710268 0.72 CRHBP (0.37) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL13503079 0.72 CRHBP (0.37) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL4899652 0.69 BCL2 (0.37) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL28159300 0.68 ERN1 (0.41) CRHBPCRHR2KEAP1NFE2L2ATM
Methane SCHEMBL27899889 0.67 CRHBP (0.36) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL6251001 0.67 ALDH1A1 (0.43) CRHBPCRHR2KEAP1NFE2L2KDM4E
SCHEMBL51330 0.65 CRHBP (0.61) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL29359446 0.65 CRHBP (0.61) CRHBPCRHR2KEAP1NFE2L2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509220-A4 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF SEBORRHEA CONTAINING 4-HYDROXY-5-METHOXY-4- 2-METHYL-3(3-METHYL-2-BUTENYL)-2-OXIRANYL -1-OXASPIRO 2,5 OCTAN-6-ONE MYCOPLUS CO LTD (KR) 2009-04-01 EP disclosed
US-20050124690-A1 Pharmaceutical composition for the treatment of seborrhea containing 4-hydroxy-5-methoxy-4-[2-methyl-3(3-methyl-2-butenyl)-2-oxiranyl]-1-oxaspiro[2,5]octan-6-one MYCOPLUS CO., LTD. (KR) 2005-06-09 US disclosed
EP-1509220-A1 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF SEBORRHEA CONTAINING 4-HYDROXY-5-METHOXY-4- 2-METHYL-3(3-METHYL-2-BUTENYL)-2-OXIRANYL]-1-OXASPIRO 2,5]OCTAN-6-ONE Mycoplus Co., Ltd. (KR) 2005-03-02 EP disclosed
WO-2003094908-A1 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF SEBORRHEA CONTAINING 4-HYDROXY-5-METHOXY-4-[2-METHYL-3(3-METHYL-2-BUTENYL)-2-OXIRANYL]-1-OXASPIRO[2,5]OCTAN-6-ONE MYCOPLUS CO., LTD. (KR) 2003-11-20 WO disclosed
US-3971725-A 2-Mercaptoquinoxaline-1-oxides, salts thereof and 2-(1-oxoquinoxalinyl)disulfides in detergent compositions COLGATE-PALMOLIVE COMPANY (US) 1976-07-27 US disclosed
US-3971725-A 2-Mercaptoquinoxaline-1-oxides, salts thereof and 2-(1-oxoquinoxalinyl)disulfides in detergent compositions COLGATE-PALMOLIVE COMPANY (US) 1976-07-27 US disclosed
US-3971725-A 2-Mercaptoquinoxaline-1-oxides, salts thereof and 2-(1-oxoquinoxalinyl)disulfides in detergent compositions COLGATE-PALMOLIVE COMPANY (US) 1976-07-27 US disclosed
US-3852443-A 2-MERCAPTOQUINOXALINE-1-OXIDES, SALTS THEREOF AND-(1-OXOQUINOXALINYL) DISULFIDES FOR TREATING HAIR AND SKIN COLGATE PALMOLIVE CO 1974-12-03 US disclosed
US-3733323-A 2-MERCAPTOQUINOXALINE-1-OXIDES,SALTS THEREOF AND 2-(1-OXOQUINOXALINYL)DISULFIDES COLGATE PALMOLIVE CO 1973-05-15 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-20050124690-A1 Pharmaceutical composition for the treatment of seborrhea containing 4-hydroxy-5-methoxy-4-[2-methyl-3(3-methyl-2-butenyl)-2-oxiranyl]-1-oxaspiro[2,5]octan-6-one SRD5A2, CYP17A1, SRD5A1 CRHBP 2879/4885CRHR2 1773/4885KEAP1 2658/4885

“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.