SCHEMBL20214539

SCHEMBL20214539

FOF.S=Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ MIF P14174 1/20 0.40
▸ HTR3E A5X5Y0 2/20 0.35
▸ HTR3B O95264 2/20 0.35
▸ HTR3A P46098 2/20 0.35
▸ HTR3D Q70Z44 2/20 0.35
▸ HTR3C Q8WXA8 2/20 0.35
▸ SLC22A2 O15244 1/20 0.35
▸ SLC22A1 O15245 1/20 0.35
▸ SLC22A3 O75751 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ NOS1 P29475 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NOS3 P29474 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL196158 0.88 — —
Fluoride SCHEMBL27663149 0.85 — —
SCHEMBL27428637 0.85 — —
SCHEMBL28873813 0.85 — —
SCHEMBL13667833 0.72 ALDH1A1 (0.50) ALDH1A1MAPTTDP1CYP1A1CYP1B1
SCHEMBL20213901 0.67 F2 (0.38) TSHRCYP1A2
Biphenyl SCHEMBL9768459 0.65 ALDH1A1 (0.69) ALDH1A1SLC22A2SLC22A1SLC22A3RAB9A
SCHEMBL596177 0.63 — —
SCHEMBL307538 0.63 — —
Azobenzene SCHEMBL6703357 0.61 ALDH1A1 (1.00) ALDH1A1MIFHTR3AMEN1KMT2A

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 ALDH1A1 3481/4885MIF 1215/4885HTR3E 298/4885
US-11254702-B2 Thionyl tetrafluoride modified compounds and uses SFXN3, TST, SIRT3 ALDH1A1 3481/4885MIF 1215/4885HTR3E 298/4885

“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.

Send feedback