SCHEMBL8409334

SCHEMBL8409334

ClC(Cl)(Cl)Sc1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
HTR7 P34969 1/20 0.44
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.39
BCL2L1 Q07817 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC22A12 Q96S37 1/20 0.37
BACE1 P56817 1/20 0.36
DPP4 P27487 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DRD1 P21728 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL30006762 1.00 CYP2A6 (0.44) CYP2A6HTR7ALDH1A1HSD17B10HPGD
SCHEMBL5175215 0.80 ALOX5AP (0.44) CYP2A6HTR7ALDH1A1HSD17B10HPGD
SCHEMBL30645296 0.76 CYP2A6 (0.48) CYP2A6HTR7ALDH1A1HSD17B10HPGD
SCHEMBL1782448 0.75 HTR7 (0.50) CYP2A6HTR7ALDH1A1HSD17B10HPGD
SCHEMBL945670 0.75 HTR7 (0.50) CYP2A6HTR7ALDH1A1HSD17B10HPGD
SCHEMBL9419959 0.74 HTR7 (0.39) CYP2A6HTR7ALDH1A1HSD17B10HPGD
SCHEMBL6893252 0.71 HTR7 (0.47) CYP2A6HTR7ALDH1A1HSD17B10HPGD
SCHEMBL30478007 0.71 ALDH1A1 (0.58) CYP2A6HTR7ALDH1A1HSD17B10HPGD
SCHEMBL8779828 0.71 TSHR (0.43) CYP2A6HTR7ALDH1A1HSD17B10KDM4E
SCHEMBL29534571 0.71 HTR7 (0.47) CYP2A6HTR7ALDH1A1HSD17B10HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11049742-A None JP disclosed
US-11542231-B2 Method of producing fluorine-containing sulfide compounds KANTO DENKA KOGYO CO., LTD. (JP) 2023-01-03 US disclosed
CN-111918861-B Process for producing fluorinated sulfide 关东电化工业株式会社 2022-10-25 CN disclosed
US-20210047265-A1 METHOD OF PRODUCING FLUORINE-CONTAINING SULFIDE COMPOUNDS KANTO DENKA KOGYO CO., LTD. (JP) 2021-02-18 US disclosed
CN-111918861-A Process for producing fluorinated sulfide 关东电化工业株式会社 2020-11-10 CN disclosed
WO-2019189716-A1 METHOD FOR PRODUCING FLUORINATED SULFIDE COMPOUND 関東電化工業株式会社 2019-10-03 WO disclosed
US-20190106553-A1 ELASTOMER COMPOSITION INTENDED FOR EMBEDDING A COMPACT ANTENNA KING KHALID UNIVERSITY (KKU) (SA) 2019-04-11 US disclosed
US-20170349567-A1 Halogenated S-(perfluoroalkyl)dibenzothiophenium salt and its production methods ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2017-12-07 US disclosed
JP-H1149742-A PRODUCTION OF 2-(TRIFLUOROMETHYLTHIO)BIPHENYL, AND SYNTHETIC, ITS PRODUCTION AND INTERMEDIATE THEREFOR DAIKIN IND LTD 1999-02-23 JP 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-20170349567-A1 Halogenated S-(perfluoroalkyl)dibenzothiophenium salt and its production methods FGFR2, SULT1A1, PFAS CYP2A6 685/4885HTR7 2764/4885ALDH1A1 818/4885
US-20210047265-A1 METHOD OF PRODUCING FLUORINE-CONTAINING SULFIDE COMPOUNDS CBS, SULT2A1, SULT1A1 CYP2A6 277/4885HTR7 2448/4885ALDH1A1 375/4885
US-11542231-B2 Method of producing fluorine-containing sulfide compounds CBS, SULT2A1, SULT1A1 CYP2A6 277/4885HTR7 2448/4885ALDH1A1 375/4885

“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.