SCHEMBL64554

SCHEMBL64554

Cc1cc(C)[n+](F)c(S(=O)(=O)O)c1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.31
CA1 P00915 3/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL8432935 0.78
SCHEMBL8715817 0.72 CA2 (0.37) CA2CA1CA9CA12
SCHEMBL138421 0.72 ALDH1A1 (0.35)
SCHEMBL8715820 0.68 CA2 (0.34) CA2CA1CA9CA12
Trifluoromethanesulfonic Acid SCHEMBL64156 0.68 GPR3 (0.41) CA2CA1CA9CA12
SCHEMBL64007 0.66 ALDH1A1 (0.30)
Sulfuric Acid SCHEMBL6214534 0.64 ALDH1A1 (0.50) CA2CA1MMP1MMP2MMP9
SCHEMBL24775115 0.62 ALDH1A1 (0.40) CA2CA1CA9CA12
SCHEMBL27617593 0.62 CA1 (0.48) CA2CA1CA9CA12MMP1
SCHEMBL646278 0.61 LCK (0.46) CA2CA1MMP1MMP2MMP9

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-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
EP-1544187-B1 1,7,8-TRIFLUORONAPHTHALENE-2-NAPHTHOL, AND METHODS FOR PRODUCING LIQUID CRYSTAL COMPOUNDS USING SAME DAINIPPON INK & CHEMICALS (JP) 2011-02-16 EP 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-20020132799-A1 Vitamin D3 dervative and treating agent for inflammatory respiratory disease using same TEIJIN LIMITED 2002-09-19 US disclosed
US-20020103173-A1 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same TEIJIN LIMITED 2002-08-01 US disclosed
US-20020099039-A1 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same TEIJIN LIMITED 2002-07-25 US disclosed
US-20020091109-A1 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same TEIJIN LIMITED 2002-07-11 US disclosed
EP-1123921-A1 VITAMIN D 3? DERIVATIVES AND REMEDIES FOR INFLAMMATORY RESPIRATORY DISEASES CONTAINING THE SAME TEIJIN LIMITED (JP) 2001-08-16 EP disclosed
US-6174628-B1 ELECTROLYTE HAS HIGH POLARITY, HIGH RESISTANCE TO OXIDATION AND FLAME RETARDANCE, AND THUS POSSESSES EXCELLENT CHARACTERISTICS AS THE ELECTROLYTE FOR ELECTRIC ENERGY GENERATORS DAIKIN INDUSTRIES, LTD. (JP) 2001-01-16 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-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 (7 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-20020103173-A1 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same CYP24A1, VDR, CYP2R1 CA2 187/4885CA1 757/4885CA9 358/4885
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 CA2 1566/4885CA1 2728/4885CA9 2098/4885
US-20020132799-A1 Vitamin D3 dervative and treating agent for inflammatory respiratory disease using same CYP24A1, VDR, CYP2R1 CA2 117/4885CA1 403/4885CA9 190/4885
US-20110213162-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME RCC1, AFF4, TPR CA2 2187/4885CA1 1537/4885CA9 1625/4885
US-20110282073-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME RCC1, AFF4, TPR CA2 2187/4885CA1 1537/4885CA9 1625/4885
US-20020099039-A1 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same CYP24A1, VDR, CYP2R1 CA2 187/4885CA1 757/4885CA9 358/4885
US-20020091109-A1 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same CYP24A1, VDR, CYP2R1 CA2 187/4885CA1 757/4885CA9 358/4885

“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.