SCHEMBL63732

SCHEMBL63732

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SNCA P37840 1/20 0.30

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
SCHEMBL63731 0.81 LMNA (0.41) GAA
SCHEMBL24775834 0.68 CA1 (0.33)
SCHEMBL8432935 0.66
SCHEMBL28180625 0.64
SCHEMBL28205938 0.61 CA2 (0.38)
SCHEMBL21273654 0.61 SNCA (0.43) GAASNCA
M-Xylene SCHEMBL10416113 0.60 ACHE (0.67) GAAHSD17B10
SCHEMBL13804028 0.60
SCHEMBL2942842 0.60 KAT6A (0.43) GAAHSD17B10
SCHEMBL3163671 0.60 KAT6A (0.40) GAAHSD17B10SNCA

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 56 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
JP-5294937-A None JP disclosed
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-5945438-A ANTIMYCOTIC AGENT SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-31 US disclosed
US-5939448-A ANTIMYCOTIC AGENT SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-17 US disclosed
EP-0933368-A1 Triazole derivative or salt thereof, preparation process thereof and pharmaceutical containing said compound as an effective ingredient (antimycotic) SSP Co., Ltd. (JP) 1999-08-04 EP disclosed
EP-0927719-A1 Triazole derivative or salt thereof, preparation process thereof as well as pharmaceutical containing said compound SSP Co., Ltd. (JP) 1999-07-07 EP disclosed
EP-0899265-A1 Triazole derivatives and their use as antimycotic agents SSP Co., Ltd. (JP) 1999-03-03 EP disclosed
EP-0814079-A1 Triazole derivative or salt thereof SS PHARMACEUTICAL CO., LTD. (JP) 1997-12-29 EP disclosed
EP-0780380-A1 Triazole derivatives with antimycotic action and intermediates SS PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed
US-5374732-A Chemical intermediates as fluorination agents DAIKIN INDUSTRIES, LTD. (JP) 1994-12-20 US disclosed
JP-H05294937-A NEW SUBSTITUTED N-FLUOROPYRIDINIUM SULFONATE, ITS PRODUCTION INTERMEDIATE AND THEIR PRODUCTION DAIKIN IND LTD 1993-11-09 JP 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 (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-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 GAA 2564/4885HSD17B10 317/4885SNCA 3911/4885
US-20110213162-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME RCC1, AFF4, TPR GAA 4460/4885HSD17B10 4361/4885SNCA 560/4885
US-20110282073-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME RCC1, AFF4, TPR GAA 4460/4885HSD17B10 4361/4885SNCA 560/4885

“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.