SCHEMBL20213987

SCHEMBL20213987

O=S(O)(F)=Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
KMT2A Q03164 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
THRB P10828 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 2/20 0.35
TSHR P16473 2/20 0.35
PMM2 O15305 1/20 0.34
MPI P34949 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
SCHEMBL21377608 0.84 MAPK1 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20213932 0.84 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29435789 0.72 PGR (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21377498 0.72 PGR (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30396176 0.68 MAPK1 (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12116179 0.68 MAPK1 (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31576798 0.67 MAPK1 (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29375842 0.67 MAPK1 (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8759349 0.67 MAPK1 (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9129351 0.67 MAPK1 (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254702-B2 Thionyl tetrafluoride modified compounds and uses THE SCRIPPS RESEARCH INSTITUTE (US) 2022-02-22 US disclosed
EP-3548465-A1 THIONYL TETRAFLUORIDE MODIFIED COMPOUNDS AND USES The Scripps Research Institute (US) 2019-10-09 EP disclosed
US-20190284226-A1 THIONYL TETRAFLUORIDE MODIFIED COMPOUNDS AND USES THE SCRIPPS RESEARCH INSTITUTE 2019-09-19 US disclosed
WO-2018102433-A1 THIONYL TETRAFLUORIDE MODIFIED COMPOUNDS AND USES THE SCRIPPS RESEARCH INSTITUTE (US) 2018-06-07 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 (2 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-20190284226-A1 THIONYL TETRAFLUORIDE MODIFIED COMPOUNDS AND USES SFXN3, TST, SIRT3 HTR3E 298/4885HTR3B 568/4885HTR3A 205/4885
US-11254702-B2 Thionyl tetrafluoride modified compounds and uses SFXN3, TST, SIRT3 HTR3E 298/4885HTR3B 568/4885HTR3A 205/4885

“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.