SCHEMBL65864

SCHEMBL65864

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.39
ACHE P22303 3/20 0.38
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 2/20 0.35
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
CA12 O43570 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
MMP1 P03956 2/20 0.32
AKR1B1 P15121 1/20 0.32
CYP19A1 P11511 1/20 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
SCHEMBL65865 0.81 CES2 (0.36) KIF11ACHECA1CA2CA9
SCHEMBL15568688 0.69 KIF11 (0.55) KIF11ACHECA1CA2CA9
Silver SCHEMBL6115105 0.69 KIF11 (0.55) KIF11ACHECA1CA2CA9
Potassium Ion SCHEMBL28729147 0.69 KIF11 (0.55) KIF11ACHECA1CA2CA9
SCHEMBL64465 0.67 CES2 (0.31) KIF11CES2
SCHEMBL6466449 0.66 ALDH1A1 (0.34) KIF11CA1CA2CA9CA12
SCHEMBL64311 0.64 PTPN1 (0.33) ACHE
Lithium Ion SCHEMBL16563208 0.64 KIF11 (0.50) KIF11ACHECA1CA2CA9
SCHEMBL1666979 0.63 KIF11 (0.59) KIF11ACHECA1CA2CA9
SCHEMBL3151057 0.63 KIF11 (0.59) KIF11ACHECA1CA2CA9

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 30 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 KIF11 2204/4885ACHE 3512/4885CA1 2728/4885
US-20110213162-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME RCC1, AFF4, TPR KIF11 859/4885ACHE 3434/4885CA1 1537/4885
US-20110282073-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME RCC1, AFF4, TPR KIF11 859/4885ACHE 3434/4885CA1 1537/4885
US-20090131723-A1 1-Fluoro-1,1-Bis-(Phenylsulfonyl)Methane and Production Method Thereof CYP2S1, ARSA, MSMO1 KIF11 3771/4885ACHE 3720/4885CA1 3020/4885

“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.