SCHEMBL64466

SCHEMBL64466

O=S(=O)(O)c1cc(C(F)(F)F)cc(C(F)(F)F)[n+]1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.35
CES2 O00748 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
PTPN7 P35236 1/20 0.30
PTPN12 Q05209 1/20 0.30
PTPN13 Q12923 1/20 0.30
SSU72 Q9NP77 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
SCHEMBL7917534 0.84
SCHEMBL64465 0.82 CES2 (0.31) CES2
SCHEMBL64312 0.73 PTPN1 (0.33) CA1CA2MMP1MMP2MMP9
SCHEMBL65865 0.67 CES2 (0.36) CES2CA1CA2MMP1
SCHEMBL109565 0.66 CES2 (0.54) ACP1CES2L3MBTL1CA1CA2
SCHEMBL21522647 0.65 CES2 (0.52) ACP1CES2L3MBTL1CA1CA2
SCHEMBL21522570 0.65 CES2 (0.52) ACP1CES2L3MBTL1CA1CA2
SCHEMBL9617536 0.65 CES2 (0.52) ACP1CES2L3MBTL1CA1CA2
SCHEMBL21522543 0.65 CES2 (0.52) ACP1CES2L3MBTL1CA1CA2
SCHEMBL22396652 0.63 MAPT (0.41) ACP1CES2CA1CA2MMP1

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 35 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
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US 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
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP 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-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 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-6531460-B1 Vitamin D3 derivatives TEIJIN LIMITED (JP) 2003-03-11 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
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 ACP1 608/4885CES2 4844/4885L3MBTL1 3759/4885
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 ACP1 3832/4885CES2 231/4885L3MBTL1 1078/4885
US-20020132799-A1 Vitamin D3 dervative and treating agent for inflammatory respiratory disease using same CYP24A1, VDR, CYP2R1 ACP1 437/4885CES2 4863/4885L3MBTL1 3747/4885
US-20110282073-A1 CONDENSATION COMPOUND BETWEEN FLUORINATED CYCLOPENTANE RING AND AROMATIC RING, AND PROCESS FOR PRODUCING THE SAME RCC1, AFF4, TPR ACP1 1979/4885CES2 2373/4885L3MBTL1 4764/4885
US-20020099039-A1 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same CYP24A1, VDR, CYP2R1 ACP1 608/4885CES2 4844/4885L3MBTL1 3759/4885
US-20020091109-A1 Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same CYP24A1, VDR, CYP2R1 ACP1 608/4885CES2 4844/4885L3MBTL1 3759/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ACP1 4848/4885CES2 958/4885L3MBTL1 3191/4885

“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.