SCHEMBL2853702

SCHEMBL2853702

O=S(=O)(c1ccccc1)C(F)(F)I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
APOBEC3G Q9HC16 1/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA5A P35218 2/20 0.42
CA9 Q16790 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA13 Q8N1Q1 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
PLA2G7 Q13093 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL14566911 0.80 HTR6 (0.50) HTR6APOBEC3GCA1CA2CA5A
SCHEMBL777153 0.80 HTR6 (0.50) HTR6APOBEC3GCA1CA2CA5A
SCHEMBL14566913 0.78 HTR6 (0.48) HTR6APOBEC3GCA1CA2CA5A
SCHEMBL5664875 0.78 HTR6 (0.48) HTR6APOBEC3GCA1CA2CA5A
SCHEMBL775525 0.76 HTR6 (0.46) HTR6APOBEC3GCA1CA2CA5A
SCHEMBL18986850 0.76 ALDH1A1 (0.48) HTR6APOBEC3GCA1CA2CA5A
SCHEMBL6053237 0.76 HSD11B1 (0.47) HTR6APOBEC3GCA1CA2CA5A
SCHEMBL776228 0.76 HTR6 (0.46) HTR6APOBEC3GCA1CA2CA5A
SCHEMBL5961978 0.76 HTR6 (0.46) HTR6APOBEC3GCA1CA2CA5A
SCHEMBL2991893 0.74 HTR6 (0.44) HTR6APOBEC3GCA1CA2CA5A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116911-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS INC (US) 2026-04-30 US disclosed
US-20230272002-A1 PHOTOREDOX PROTEIN MODIFICATION THE ROSALIND FRANKLIN INSTITUTE (GB) 2023-08-31 US disclosed
US-20230272002-A1 PHOTOREDOX PROTEIN MODIFICATION THE ROSALIND FRANKLIN INSTITUTE (GB) 2023-08-31 US disclosed
CN-107162928-B Halogenated analogs of anti-fibrotic agents 塞尔塔医疗有限公司 2022-03-11 CN disclosed
WO-2022013564-A1 PHOTOREDOX PROTEIN MODIFICATION THE ROSALIND FRANKLIN INSTITUTE (GB) 2022-01-20 WO disclosed
CN-112047839-B 1-iodine-3-perfluoroalkyl alkene compound and preparation method thereof 中山大学 2021-11-05 CN disclosed
CN-112047839-A 1-iodine-3-perfluoroalkyl alkene compound and preparation method thereof 中山大学 2020-12-08 CN disclosed
US-20180016227-A1 PROCESS FOR THE SYNTHESIS OF DIFLUOROMETHYL ETHER-BASED COMPOUNDS TRILLIUM THERAPEUTICS INC. (CA) 2018-01-18 US disclosed
US-20180016227-A1 PROCESS FOR THE SYNTHESIS OF DIFLUOROMETHYL ETHER-BASED COMPOUNDS TRILLIUM THERAPEUTICS INC. (CA) 2018-01-18 US disclosed
WO-2016123707-A1 PROCESS FOR THE SYNTHESIS OF DIFLUOROMETHYL ETHER-BASED COMPOUNDS TRILLIUM THERAPEUTICS INC. (CA) 2016-08-11 WO disclosed
EP-1963277-B1 FLUORINATED COMPOUNDS NPS PHARMA INC (US) 2010-01-20 EP disclosed
EP-2099444-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS NPS PHARMACEUTICALS, INC. (CA) 2009-09-16 EP disclosed
US-20090005433-A1 Fluorinated Compounds NPS PHARMACEUTICALS, INC. 2009-01-01 US disclosed
US-20090005433-A1 Fluorinated Compounds NPS PHARMACEUTICALS, INC. 2009-01-01 US disclosed
EP-1963277-A1 FLUORINATED COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 2008-09-03 EP disclosed
WO-2008070994-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS NPS PHARMACEUTICALS, INC. (CA) 2008-06-19 WO disclosed
WO-2007076306-A1 FLUORINATED COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 2007-07-05 WO disclosed
US-7119232-B2 Nucleophilic substitution reactions of difluorormethyl phenyl sulfone with alkyl halides leading to the facile synthesis of terminal 1,1-difluoro-1-alkenes and difluoromethylalkanes UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2006-10-10 US disclosed
US-20060052643-A1 Nucleophilic substitution reactions of difluorormethyl phenyl sulfone with alkyl halides leading to the facile synthesis of terminal 1,1-difluoro-1-alkenes and difluoromethylalkanes UNIVERSITY OF SOUTHERN CALIFORNIA 2006-03-09 US disclosed
WO-2005097739-A2 NUCLEOPHILIC SUBSTITUTION REACTIONS OF DIFLUOROMETHYL PHENYL SULFONE WITH ALKYL HALIDES LEADING TO THE FACILE SYNTHESIS OF TERMINAL 1,1-DIFLUORO-1-ALKENES AND DIFLUOROMETHYLALKANES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-10-20 WO 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 (5 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-20230272002-A1 PHOTOREDOX PROTEIN MODIFICATION PPOX, CACYBP, BRI3BP HTR6 4672/4885APOBEC3G 3106/4885CA1 1284/4885
US-20180016227-A1 PROCESS FOR THE SYNTHESIS OF DIFLUOROMETHYL ETHER-BASED COMPOUNDS CYP2F1, CYP2E1, PAH HTR6 2361/4885APOBEC3G 2214/4885CA1 4014/4885
US-20090005433-A1 Fluorinated Compounds CNR1, NPFFR1, AFF1 HTR6 1124/4885APOBEC3G 4294/4885CA1 2396/4885
US-20260116911-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SCN4A, CACNG4, SLC6A4 HTR6 237/4885APOBEC3G 4211/4885CA1 737/4885
US-20060052643-A1 Nucleophilic substitution reactions of difluorormethyl phenyl sulfone with alkyl halides leading to the facile synthesis of terminal 1,1-difluoro-1-alkenes and difluoromethylalkanes PFAS, FRK, PFKFB1 HTR6 2603/4885APOBEC3G 1152/4885CA1 3372/4885

“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.