SCHEMBL63731

SCHEMBL63731

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
GPR3 P46089 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
SCHEMBL63732 0.81 GAA (0.33) GAA
SCHEMBL64553 0.71 LMNA (0.36) LMNAKDM4ETDP1
SCHEMBL6941430 0.69
SCHEMBL11956551 0.67 IDO1 (0.33) LMNAKDM4EGAA
SCHEMBL8432933 0.66 KDM4E (0.36) LMNAKDM4E
SCHEMBL28180625 0.64
SCHEMBL24775834 0.64 CA1 (0.33) LMNAKDM4E
Trifluoromethanesulfonic Acid SCHEMBL9065588 0.63 KCNH2 (0.43) GAAGPR3
SCHEMBL28205938 0.61 CA2 (0.38) KDM4EALDH1A1
SCHEMBL28285273 0.60 HDAC8 (0.36) ALDH1A1

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 60 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 LMNA 3752/4885KDM4E 3266/4885TDP1 1635/4885
US-20110213162-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME RCC1, AFF4, TPR LMNA 3489/4885KDM4E 1633/4885TDP1 2969/4885
US-20110282073-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME RCC1, AFF4, TPR LMNA 3489/4885KDM4E 1633/4885TDP1 2969/4885

“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.