SCHEMBL3209159

SCHEMBL3209159

O=S(=O)(NC1CCN(c2ncccc2C(F)(F)F)CC1)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.53
TRPV1 Q8NER1 2/20 0.49
KIF18A Q8NI77 2/20 0.47
HTR1A P08908 2/20 0.46
HTR7 P34969 2/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL3216021 0.89 HSD11B1 (0.67) HSD11B1TRPV1HTR1AHTR7
SCHEMBL3207553 0.85 HSD11B1 (0.50) HSD11B1TRPV1
SCHEMBL4486904 0.85 HSD11B1 (0.67) HSD11B1TRPV1
SCHEMBL3210332 0.85 HSD11B1 (0.68) HSD11B1TRPV1
SCHEMBL3217891 0.83 HSD11B1 (0.52) HSD11B1TRPV1EPHX2
SCHEMBL3221211 0.83 HSD11B1 (0.65) HSD11B1TRPV1
SCHEMBL3223132 0.82 HSD11B1 (0.66) HSD11B1TRPV1
SCHEMBL3216358 0.78 HSD11B1 (0.53) HSD11B1TRPV1HTR1AHTR7
SCHEMBL14018578 0.74 EPHX2 (0.59) HSD11B1TRPV1EPHX2
SCHEMBL12317612 0.74 HTR2A (0.59) HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US 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-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 HSD11B1 1/4885TRPV1 4793/4885KIF18A 4050/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885TRPV1 4707/4885KIF18A 4117/4885

“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.