SCHEMBL943534

SCHEMBL943534

CC(c1ccccc1SSc1ccccc1C(C)[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CETP P11597 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
PDE7A Q13946 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSP90AA1 P07900 1/20 0.32
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APOBEC3G Q9HC16 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL5623819 0.76 ADRB2 (0.41) MAPTKMT2AKDM4ETDP1ALDH1A1
SCHEMBL10898417 0.74 GABRA1 (0.54) MAPTKMT2AKDM4ETDP1ALDH1A1
SCHEMBL8863993 0.74 HTT (0.40) MAPTNPSR1KMT2AKDM4ETDP1
SCHEMBL27496185 0.74 ALDH1A1 (0.53) MAPTKMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL6029216 0.73 L3MBTL1 (0.43) MAPTNPSR1TDP1ALDH1A1LMNA
SCHEMBL265334 0.73 ALDH1A1 (0.50) ALDH1A1LMNACYP1A2TSHR
SCHEMBL11523492 0.72 CYP1A2 (0.39) TDP1ALDH1A1LMNAHSP90AA1CA1
SCHEMBL944019 0.72 GABRA1 (0.48) MAPTNPSR1KMT2ACETPLMNA
SCHEMBL9561790 0.70 ALDH1A1 (0.45) MAPTKMT2AKDM4ETDP1ALDH1A1
SCHEMBL264411 0.69 KDM4E (0.45) MAPTNPSR1KMT2AKDM4ETDP1

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
US-8987516-B2 Process for producing arylsulfur pentafluorides UBE INDUSTRIES, LTD. (JP) 2015-03-24 US disclosed
EP-2468722-B1 Process for producing arylsulfur halotetrafluorides UBE INDUSTRIES (JP) 2014-10-01 EP disclosed
EP-2468721-B1 Process for producing arylsulfur pentafluorides UBE INDUSTRIES (JP) 2014-02-26 EP disclosed
EP-2468720-B1 Process for producing arylsulfur pentafluorides UBE INDUSTRIES (JP) 2013-11-27 EP disclosed
EP-2468719-B1 Process for producing arylsulfur pentafluorides UBE INDUSTRIES (JP) 2013-10-16 EP disclosed
EP-2137144-B1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES UBE INDUSTRIES (JP) 2013-07-31 EP disclosed
US-8399720-B2 Methods for producing fluorinated phenylsulfur pentafluorides UBE INDUSTRIES, LTD. (JP) 2013-03-19 US disclosed
EP-2468719-A1 Process for producing arylsulfur pentafluorides UBE Industries, Ltd. (JP) 2012-06-27 EP disclosed
EP-2468721-A1 Process for producing arylsulfur pentafluorides UBE Industries, Ltd. (JP) 2012-06-27 EP disclosed
EP-2468722-A1 Process for producing arylsulfur halotetrafluorides UBE Industries, Ltd. (JP) 2012-06-27 EP disclosed
US-7820864-B2 2,3,4,5,6-pentafluorophenylsulfur pentafluoride; as intermediates for introduce sulfur pentafluoride groups into various commercial organic molecules; liquid crystals, fungicides, herbicides, and insecticides IM&T RESEARCH, INC. (US) 2010-10-26 US disclosed
US-20100130790-A1 Methods for Producing Fluorinated Phenylsulfur Pentafluorides IM&T RESEARCH, INC. (US) 2010-05-27 US disclosed
US-20100076215-A9 Process for Producing Arylsulfur Pentafluorides IM&T RESEARCH, INC. (US) 2010-03-25 US disclosed
US-20100029992-A1 Process for Producing Arylsulfur Pentafluorides IM&T RESEARCH, INC. (US) 2010-02-04 US disclosed
WO-2010014665-A1 METHODS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T RESEARCH, INC. (US) 2010-02-04 WO disclosed
EP-2137144-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T Research, Inc. (US) 2009-12-30 EP disclosed
US-20090287024-A1 Process for Producing Arylsulfur Pentafluorides IM&T RESEARCH, INC. (US) 2009-11-19 US disclosed
US-7592491-B2 Process for producing arylsulfur pentafluorides IM&T RESEARCH, INC. (US) 2009-09-22 US disclosed
WO-2008118787-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM & T RESEARCH, INC. (US) 2008-10-02 WO disclosed
US-20080234520-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T RESEARCH, INC. (US) 2008-09-25 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 (5 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-20090287024-A1 Process for Producing Arylsulfur Pentafluorides PFAS, MPST, ARSA MAPT 3764/4885NPSR1 237/4885KMT2A 3642/4885
US-20100130790-A1 Methods for Producing Fluorinated Phenylsulfur Pentafluorides BRPF1, SFXN3, SLFN12 MAPT 3665/4885NPSR1 722/4885KMT2A 3382/4885
US-20100076215-A9 Process for Producing Arylsulfur Pentafluorides PFAS, MPST, ARSA MAPT 3764/4885NPSR1 237/4885KMT2A 3642/4885
US-20080234520-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES PFAS, MPST, ARSA MAPT 3764/4885NPSR1 237/4885KMT2A 3642/4885
US-20100029992-A1 Process for Producing Arylsulfur Pentafluorides PFAS, MPST, ARSA MAPT 3764/4885NPSR1 237/4885KMT2A 3642/4885

“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.