SCHEMBL3224374

SCHEMBL3224374

O=C(Nc1ccc(S(=O)(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1)N1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.70
▸ CA1 P00915 1/20 0.70
▸ CA2 P00918 1/20 0.70
▸ CA9 Q16790 1/20 0.70
▸ F13A1 P00488 1/20 0.70
▸ TGM2 P21980 1/20 0.70
▸ TGM1 P22735 1/20 0.70
▸ TRPV1 Q8NER1 2/20 0.65
▸ HSD11B1 P28845 10/20 0.63

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
SCHEMBL3213283 0.91 CA12 (0.73) CA12CA1CA2CA9F13A1
SCHEMBL3221272 0.85 F13A1 (0.77) CA12CA1CA2CA9F13A1
SCHEMBL3210360 0.83 HSD11B1 (0.74) F13A1TGM2TGM1HSD11B1
SCHEMBL3223739 0.83 F13A1 (0.75) CA12CA1CA2CA9F13A1
SCHEMBL1872122 0.82 F13A1 (1.00) CA12CA1CA2CA9F13A1
SCHEMBL3224638 0.82 F13A1 (0.73) CA12CA1CA2CA9F13A1
SCHEMBL3712104 0.80 TRPV1 (0.80) CA12CA1CA2CA9TRPV1
SCHEMBL4262793 0.78 TRPV1 (0.82) CA12CA1CA2CA9TRPV1
SCHEMBL3210183 0.78 HSD11B1 (1.00) HSD11B1
SCHEMBL19248151 0.77 HSD11B1 (1.00) HSD11B1

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 CA12 3103/4885CA1 2701/4885CA2 3927/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 CA12 3314/4885CA1 2569/4885CA2 3774/4885

“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.

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