SCHEMBL7800441

SCHEMBL7800441

O=S(=O)(Cc1cc(F)cc(F)c1)CC1CN([C@@H](c2ccncc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
CYP3A4 P08684 6/20 0.35
CYP3A5 P20815 4/20 0.35
CYP19A1 P11511 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC6A9 P48067 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP21A2 P08686 1/20 0.32
GMNN O75496 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL3295045 1.00 FNTA (0.38) FNTAFNTBCYP3A4CYP3A5CYP19A1
SCHEMBL3296789 0.90 CYP3A4 (0.36) FNTAFNTBCYP3A4CYP3A5CYP19A1
SCHEMBL3294234 0.89 CYP3A4 (0.49) FNTAFNTBCYP3A4CYP3A5CYP19A1
SCHEMBL3296486 0.87 CYP3A4 (0.35) CYP3A4CYP3A5SLC6A9GMNNTP53
SCHEMBL3294295 0.85 ACHE (0.36)
SCHEMBL3297656 0.80 SMN1; SMN2 (0.36) CYP3A4CYP19A1CYP2D6CYP2C9CYP2C19
SCHEMBL3296939 0.78 AGTR2 (0.36)
SCHEMBL3296344 0.78 PSEN1 (0.38) CYP3A4CYP3A5CYP19A1CYP2D6SLC6A9
SCHEMBL3296451 0.77 CYP3A4 (0.41) FNTAFNTBCYP3A4CYP3A5CYP19A1
SCHEMBL3299776 0.75 AGTR2 (0.37) CYP3A4CYP19A1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2001-10-04 US claimed

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-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 FNTA 4462/4885FNTB 4588/4885CYP3A4 38/4885

“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.