SCHEMBL914440

SCHEMBL914440

CC(C)COCc1cc(C(C)(C)C)cc(COCC(C)C)c1SSc1c(COCC(C)C)cc(C(C)(C)C)cc1COCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
TACR1 P25103 2/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
CYP2C19 P33261 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 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
SCHEMBL14174556 0.91 PTPN1 (0.31) PTPN1TACR1L3MBTL1
SCHEMBL12705777 0.87 PTPN1 (0.33) PTPN1TACR1ATML3MBTL1KDM4E
SCHEMBL12905799 0.85
SCHEMBL14311493 0.85 PTPN1 (0.30) PTPN1
SCHEMBL12705778 0.83 TACR1 (0.38) PTPN1TACR1ATML3MBTL1KDM4E
SCHEMBL915238 0.81 PTPN1 (0.44) PTPN1TACR1ATML3MBTL1KDM4E
SCHEMBL914586 0.81 GABRA1 (0.34) KDM4ECYP2C19GABRA1GABRB2
Fluoride SCHEMBL914393 0.80 PTPN1 (0.35) PTPN1TACR1ATML3MBTL1KDM4E
SCHEMBL914312 0.79 HMGCR (0.34) PTPN1TACR1ATML3MBTL1CYP2C19
SCHEMBL913881 0.78 GABRA1 (0.38) MAPTCYP2C19GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046735-A2 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM&T Research, Inc. (US) 2009-04-15 EP claimed
US-7501543-B2 Bis[2,6-bis(methoxymethyl)phenyl]disulfide; intermediates IM&T RESEARCH, INC. (US) 2009-03-10 US claimed
US-20080221364-A1 Bis[2,6-bis(methoxymethyl)phenyl]disulfide; intermediates IM&T RESEARCH, INC. (US) 2008-09-11 US claimed
US-20080039660-A1 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective IM&T RESEARCH, INC. (US) 2008-02-14 US claimed
WO-2008014345-A2 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM & T RESEARCH, INC. (US) 2008-01-31 WO claimed
US-9365471-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2016-06-14 US disclosed
EP-2046735-B1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDES AS FLUORINATING AGENTS UBE INDUSTRIES (JP) 2015-05-06 EP disclosed
US-20140235898-A1 Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents UBE INDUSTRIES, LTD. (JP) 2014-08-21 US disclosed
US-8710270-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2014-04-29 US disclosed
US-7919635-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2011-04-05 US disclosed
US-7919635-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2011-04-05 US disclosed
US-20110009672-A1 Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents IM&T RESEARCH, INC. (US) 2011-01-13 US disclosed
US-7501543-B2 Bis[2,6-bis(methoxymethyl)phenyl]disulfide; intermediates IM&T RESEARCH, INC. (US) 2009-03-10 US disclosed
US-20080221364-A1 Bis[2,6-bis(methoxymethyl)phenyl]disulfide; intermediates IM&T RESEARCH, INC. (US) 2008-09-11 US disclosed
US-20080221364-A1 Bis[2,6-bis(methoxymethyl)phenyl]disulfide; intermediates IM&T RESEARCH, INC. (US) 2008-09-11 US disclosed
US-7381846-B2 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective IM&T RESEARCH, INC. (US) 2008-06-03 US disclosed
US-7381846-B2 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective IM&T RESEARCH, INC. (US) 2008-06-03 US disclosed
US-20080039660-A1 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective IM&T RESEARCH, INC. (US) 2008-02-14 US disclosed
US-20080039660-A1 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective IM&T RESEARCH, INC. (US) 2008-02-14 US disclosed
WO-2008014345-A2 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM & T RESEARCH, INC. (US) 2008-01-31 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 (4 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-20140235898-A1 Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents PFAS, FRS2, FBL PTPN1 1536/4885TACR1 1632/4885ATM 2684/4885
US-20110009672-A1 Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents PFAS, FRS2, FBL PTPN1 1536/4885TACR1 1632/4885ATM 2684/4885
US-20080221364-A1 Bis[2,6-bis(methoxymethyl)phenyl]disulfide; intermediates PFAS, STS, SCLY PTPN1 1766/4885TACR1 2329/4885ATM 3204/4885
US-20080039660-A1 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective TST, DDT, ESD PTPN1 2559/4885TACR1 2757/4885ATM 2280/4885

“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.