SCHEMBL3207553

SCHEMBL3207553

O=S(=O)(NC1CCN(c2ncccc2C(F)(F)F)CC1)c1ccc(Br)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.50
TRPV1 Q8NER1 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 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
SCHEMBL3217891 0.87 HSD11B1 (0.52) HSD11B1TRPV1CA12CA1CA2
SCHEMBL3209159 0.85 HSD11B1 (0.53) HSD11B1TRPV1
SCHEMBL4486904 0.84 HSD11B1 (0.67) HSD11B1TRPV1
SCHEMBL3210332 0.84 HSD11B1 (0.68) HSD11B1TRPV1
SCHEMBL3221211 0.83 HSD11B1 (0.65) HSD11B1TRPV1
SCHEMBL3216021 0.82 HSD11B1 (0.67) HSD11B1TRPV1
SCHEMBL3223132 0.81 HSD11B1 (0.66) HSD11B1TRPV1
SCHEMBL3216358 0.76 HSD11B1 (0.53) HSD11B1TRPV1
SCHEMBL3018396 0.75 KMT2A (0.73)
SCHEMBL3025231 0.72 KMT2A (0.65)

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 4793/4885CA12 3103/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885TRPV1 4707/4885CA12 3314/4885

“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.