SCHEMBL915880

SCHEMBL915880

O=[N+]([O-])c1ccc(S(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.58
CA2 P00918 7/20 0.58
CA9 Q16790 5/20 0.58
CA12 O43570 4/20 0.58
CA14 Q9ULX7 4/20 0.58
CA5A P35218 4/20 0.58
CA3 P07451 3/20 0.58
CA4 P22748 3/20 0.58
CA6 P23280 3/20 0.58
CA7 P43166 3/20 0.58
CA13 Q8N1Q1 3/20 0.58
CA5B Q9Y2D0 3/20 0.58
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.52
ACHE P22303 1/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52

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
SCHEMBL8129291 0.83 CA2 (0.61) CA1CA2CA9CA12CA14
SCHEMBL28107965 0.81 CA1 (0.59) CA1CA2CA9CA12CA14
SCHEMBL27909482 0.81 ALDH1A1 (0.72) CA1CA2CA9CA12CA14
SCHEMBL22567 0.81 ALDH1A1 (0.72) CA1CA2CA9CA12CA14
Hydrogen Sulfide SCHEMBL27319417 0.78 ALDH1A1 (0.68) CA1CA2CA9CA12CA14
Water SCHEMBL27300423 0.78 ALDH1A1 (0.68) CA1CA2CA9CA12CA14
SCHEMBL27986433 0.78 ALDH1A1 (0.68) CA1CA2CA9CA12CA14
Water SCHEMBL28241270 0.78 ALDH1A1 (0.68) CA1CA2CA9CA12CA14
SCHEMBL27813527 0.78 ALDH1A1 (0.68) CA1CA2CA9CA12CA14
SCHEMBL27844585 0.78 ALDH1A1 (0.68) CA1CA2CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101522611-B Substituted phenylsulfur trifluoride and other similar fluorinating agents UBE INDUSTRIES 2013-07-17 CN disclosed
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2011-08-04 US disclosed
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2011-08-04 US disclosed
EP-2323974-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO Ube Industries, Ltd. (JP) 2011-05-25 EP 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
EP-1484318-A1 Process for the synthesis of aryl sulfurpentafluorides AIR PRODUCTS AND CHEMICALS, INC. (US) 2004-12-08 EP disclosed
US-6747178-B1 Method of performing a chemical reaction BRITISH NUCLEAR FUELS PLC (GB) 2004-06-08 US disclosed
CN-1084733-C The Preparation of fluorinated organic compounds F2 CHEMICAL CO LTD (GB) 2002-05-15 CN disclosed
EP-1028801-A1 A METHOD OF PERFORMING A CHEMICAL REACTION British Nuclear Fuels PLC (GB) 2000-08-23 EP disclosed
EP-0784614-B1 THE PREPARATION OF FLUORINATED ORGANIC COMPOUNDS F2 CHEMICALS LIMITED (GB) 1999-10-06 EP disclosed
WO-1999022857-A1 A METHOD OF PERFORMING A CHEMICAL REACTION BRITISH NUCLEAR FUELS PLC (GB) 1999-05-14 WO disclosed
US-5741935-A Preparation of organic pentafluorosulphur compounds BRITISH NUCLEAR FUELS PLC (GB) 1998-04-21 US disclosed
CN-1165512-A Process for preparing fluorinated organic compounds BRITISH NUCLEAR FUELS PLC (GB) 1997-11-19 CN disclosed
EP-0784614-A1 THE PREPARATION OF FLUORINATED ORGANIC COMPOUNDS British Nuclear Fuels PLC (GB) 1997-07-23 EP disclosed
WO-1997005106-A1 THE PREPARATION OF FLUORINATED ORGANIC COMPOUNDS BRITISH NUCLEAR FUELS PLC (GB) 1997-02-13 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 (3 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 CA1 4036/4885CA2 4755/4885CA9 3782/4885
US-20110009672-A1 Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents PFAS, FRS2, FBL CA1 4036/4885CA2 4755/4885CA9 3782/4885
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto PFAS, AGPS, FDPS CA1 4740/4885CA2 4787/4885CA9 4462/4885

“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.