SCHEMBL945307

SCHEMBL945307

CCN(CC)C(=O)c1ccccc1SSc1ccccc1C(=O)N(CC)CC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
TP53 P04637 1/20 0.52
KEAP1 Q14145 1/20 0.51
TSHR P16473 2/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
TRPA1 O75762 1/20 0.42
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41

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
SCHEMBL30343474 0.87 KMT2A (0.54) TP53KEAP1TSHRMAPK1ALDH1A1
SCHEMBL17877660 0.87 KMT2A (0.54) TP53KEAP1TSHRMAPK1ALDH1A1
SCHEMBL610480 0.84 TP53 (0.69) TP53KEAP1TSHRMAPK1ALDH1A1
SCHEMBL29822323 0.84 TP53 (0.69) TP53KEAP1TSHRMAPK1ALDH1A1
SCHEMBL10792734 0.83 TP53 (0.59) POLBTP53ALDH1A1HPGDMAPT
SCHEMBL11751601 0.83 SIRT1 (0.56) TP53KEAP1TSHRMAPK1ALDH1A1
SCHEMBL29129836 0.83 KEAP1 (0.47) TP53KEAP1TSHRMAPK1ALDH1A1
SCHEMBL8542682 0.80 ALDH1A1 (0.51) POLBTP53KEAP1TSHRMAPK1
SCHEMBL18920341 0.80 POLB (0.46) POLBTP53KEAP1TSHRMAPK1
SCHEMBL943490 0.79 TSHR (0.65) POLBTSHRMAPK1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180360856-A1 ANTI-BACTERIAL COMPOUNDS AUSPHERIX LIMITED (GB) 2018-12-20 US disclosed
EP-3383880-A2 ANTI-BACTERIAL COMPOUNDS Auspherix Limited (GB) 2018-10-10 EP disclosed
WO-2017093543-A2 ANTI-BACTERIAL COMPOUNDS AUSPHERIX LIMITED (GB) 2017-06-08 WO disclosed
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
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 (6 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 POLB 3490/4885TP53 3870/4885KEAP1 2615/4885
US-20180360856-A1 ANTI-BACTERIAL COMPOUNDS ELANE, MRPL21, CLPP POLB 143/4885TP53 4465/4885KEAP1 1543/4885
US-20100130790-A1 Methods for Producing Fluorinated Phenylsulfur Pentafluorides BRPF1, SFXN3, SLFN12 POLB 2966/4885TP53 1488/4885KEAP1 3978/4885
US-20100076215-A9 Process for Producing Arylsulfur Pentafluorides PFAS, MPST, ARSA POLB 3490/4885TP53 3870/4885KEAP1 2615/4885
US-20080234520-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES PFAS, MPST, ARSA POLB 3490/4885TP53 3870/4885KEAP1 2615/4885
US-20100029992-A1 Process for Producing Arylsulfur Pentafluorides PFAS, MPST, ARSA POLB 3490/4885TP53 3870/4885KEAP1 2615/4885

“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.