SCHEMBL3665137

SCHEMBL3665137

Cc1ccc(S(=O)(=O)OC[C@]2(c3ccc(F)cc3F)O[C@H]2c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
PSEN1 P49768 5/20 0.35
PSEN2 P49810 5/20 0.35
APH1B Q8WW43 5/20 0.35
NCSTN Q92542 5/20 0.35
APH1A Q96BI3 5/20 0.35
PSENEN Q9NZ42 5/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
RORC P51449 1/20 0.31
MAPT P10636 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL3665134 1.00 BACE1 (0.36) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL3772086 1.00 BACE1 (0.36) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL9733801 0.88 RORC (0.36) ALDH1A1CYP3A4GAACYP2D6CYP2C9
SCHEMBL9733798 0.88 RORC (0.36) ALDH1A1CYP3A4GAACYP2D6CYP2C9
SCHEMBL9733806 0.88 RORC (0.36) ALDH1A1CYP3A4GAACYP2D6CYP2C9
SCHEMBL9661970 0.85 ALDH1A1 (0.38) ALDH1A1CYP3A4GAACYP2D6CYP2C9
SCHEMBL9661965 0.85 ALDH1A1 (0.38) ALDH1A1CYP3A4GAACYP2D6CYP2C9
SCHEMBL9661969 0.85 ALDH1A1 (0.38) ALDH1A1CYP3A4GAACYP2D6CYP2C9
SCHEMBL1499077 0.83 ALDH1A1 (0.34) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL1499078 0.83 ALDH1A1 (0.34) BACE1PSEN1PSEN2APH1BNCSTN

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-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-16 US claimed
US-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-16 US disclosed
EP-2234488-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-10-06 EP disclosed
WO-2009077443-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 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 (1 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-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, NOX5, TET1 BACE1 3440/4885PSEN1 3854/4885PSEN2 4241/4885

“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.