Sugi Predict

Sugi Predict / Compounds / SCHEMBL945833

SCHEMBL945833

SCHEMBL945833

O=[N+]([O-])c1ccc(Oc2ccc(SSc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 2/20 0.63
▸ KMT2A Q03164 6/20 0.59
▸ MEN1 O00255 5/20 0.59
▸ MAPT P10636 4/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ MYOC Q99972 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.53
▸ HTT P42858 1/20 0.53
▸ SRD5A2 P31213 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CES2 O00748 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
SCHEMBL9183872 0.87 HSPB1 (0.79) HSPB1KMT2AMEN1MAPTMAPK1
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.87 HSPB1 (0.79) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL2011179 0.87 HSPB1 (0.79) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL223594 0.87 MEN1 (0.59) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL11689190 0.87 HSPB1 (0.79) HSPB1KMT2AMEN1MAPTMAPK1
4,4'-Oxybis(Nitrobenzene) SCHEMBL8934595 0.85 HSPB1 (0.76) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL620493 0.85 HSPB1 (0.59) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL311582 0.81 KMT2A (0.73) HSPB1KMT2AMEN1MAPTMAPK1
SCHEMBL943255 0.81 MAPT (0.53) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL28051442 0.81 HSPB1 (0.70) HSPB1KMT2AMEN1MAPTMAPK1

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
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-2468720-A1 Process for producing arylsulfur pentafluorides UBE Industries, Ltd. (JP) 2012-06-27 — — EP 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
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 HSPB1 4354/4885KMT2A 3642/4885MEN1 2006/4885
US-20100130790-A1 Methods for Producing Fluorinated Phenylsulfur Pentafluorides BRPF1, SFXN3, SLFN12 HSPB1 3578/4885KMT2A 3382/4885MEN1 2166/4885
US-20100076215-A9 Process for Producing Arylsulfur Pentafluorides PFAS, MPST, ARSA HSPB1 4354/4885KMT2A 3642/4885MEN1 2006/4885
US-20080234520-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES PFAS, MPST, ARSA HSPB1 4354/4885KMT2A 3642/4885MEN1 2006/4885
US-20100029992-A1 Process for Producing Arylsulfur Pentafluorides PFAS, MPST, ARSA HSPB1 4354/4885KMT2A 3642/4885MEN1 2006/4885

“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.