SCHEMBL65865

SCHEMBL65865

O=S(=O)(O)c1ccc(C(F)(F)F)c[n+]1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KIF11 P52732 6/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 3/20 0.35
EPHX2 P34913 1/20 0.33
CA12 O43570 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SRD5A2 P31213 1/20 0.32
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32
MGLL Q99685 1/20 0.32
ACHE P22303 1/20 0.32
MMP1 P03956 2/20 0.32

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
SCHEMBL3161858 0.73 EPHX2 (0.39) CES1KIF11CA1CA2CA9
SCHEMBL230582 0.69 KIF11 (0.55) CES2CES1KIF11CA1CA2
SCHEMBL6115108 0.67 KIF11 (0.53) CES2CES1KIF11CA1CA2
Hydrochloric Acid SCHEMBL4589695 0.67 KIF11 (0.53) CES2CES1KIF11CA1CA2
SCHEMBL15568689 0.67 KIF11 (0.53) CES2CES1KIF11CA1CA2
SCHEMBL64466 0.67 ACP1 (0.35) CES2CA1CA2MMP1
SCHEMBL6466452 0.66 MRGPRX4 (0.36) KIF11CA1CA2CA9CA12
Ethylene SCHEMBL28421049 0.65 KIF11 (0.52) CES2CES1KIF11CA1CA2
SCHEMBL3869513 0.64 PTPN1 (0.53) CES2CES1KIF11CA1CA2
SCHEMBL64312 0.64 PTPN1 (0.33) CA1CA2ACHEMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 US claimed
US-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 US disclosed
US-8207184-B2 Condensation compound between fluorinated cyclopentane ring and aromatic ring, and process for producing the same SUMITOMO CHEMICAL CO., LTD. (JP) 2012-06-26 US disclosed
US-8129400-B2 Condensation compound between fluorinated cyclopentane ring and aromatic ring, and process for producing the same SUMITOMO CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-12-29 US disclosed
US-20110282073-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL CO., LTD. (JP) 2011-11-17 US disclosed
US-20110213162-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL CO., LTD. (JP) 2011-09-01 US disclosed
US-8008336-B2 Forming electronic material, semiconductors SUMITOMO CHEMICAL CO., LTD. (JP) 2011-08-30 US disclosed
US-7638654-B2 1-fluoro-1, 1-bis-(phenylsulfonyl)methane and production method thereof NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2009-12-29 US disclosed
US-20090131723-A1 1-Fluoro-1,1-Bis-(Phenylsulfonyl)Methane and Production Method Thereof TOSOH F-TECH, INC. (JP) 2009-05-21 US disclosed
US-6040339-A TREATMENT AND PROPHYLAXIS OF HYPERCHOLESTEREMIA OR ARTERIOSCLEROSIS IN A MAMMAL SANKYO COMPANY, LIMITED (JP) 2000-03-21 US disclosed
EP-0526849-B1 Substituted N-Fluoropyridiniumsulfonate, intermediates therefor and preparation processes thereof DAIKIN IND LTD (JP) 1999-12-01 EP disclosed
EP-0948073-A1 ELECTROLYTIC SOLUTION AND DEVICE FOR GENERATING ELECTRIC ENERGY THEREWITH Daikin Industries, Ltd. (JP) 1999-10-06 EP disclosed
US-5880147-A Amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prohylactic use SANKYO COMPANY, LIMITED (JP) 1999-03-09 US disclosed
EP-0646979-B1 MATERIAL FOR GENERATING ELECTRIC ENERGY DAIKIN IND LTD (JP) 1998-11-11 EP disclosed
EP-0763524-A1 Urea and amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prophylactic use SANKYO COMPANY LIMITED (JP) 1997-03-19 EP disclosed
US-5573868-A ELECTROCHEMICAL REACTION BETWEEN A COMPOUND HAVING A N-F BOND AND ELECTRON DONOR DAIKIN INDUSTRIES, LTD. (JP) 1996-11-12 US disclosed
EP-0646979-A1 MATERIAL FOR GENERATING ELECTRIC ENERGY DAIKIN INDUSTRIES, LTD. (JP) 1995-04-05 EP disclosed
US-5374732-A Chemical intermediates as fluorination agents DAIKIN INDUSTRIES, LTD. (JP) 1994-12-20 US disclosed
EP-0526849-A1 Novel substituted N-Fluoropyridiniumsulfonate, intermediates therefor and preparation processes thereof DAIKIN INDUSTRIES, LTD. (JP) 1993-02-10 EP 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-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME CBR1, CYP1B1, CYP2F1 CES2 231/4885CES1 166/4885KIF11 2204/4885
US-20110213162-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME RCC1, AFF4, TPR CES2 2373/4885CES1 4214/4885KIF11 859/4885
US-20110282073-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME RCC1, AFF4, TPR CES2 2373/4885CES1 4214/4885KIF11 859/4885
US-20090131723-A1 1-Fluoro-1,1-Bis-(Phenylsulfonyl)Methane and Production Method Thereof CYP2S1, ARSA, MSMO1 CES2 1318/4885CES1 182/4885KIF11 3771/4885

“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.