SCHEMBL3224328

SCHEMBL3224328

O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(c2ncccc2C(F)(F)F)CC1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.67
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
TRPV1 Q8NER1 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
SCHEMBL3212924 0.89 HSD11B1 (0.65) HSD11B1LMNATRPV1
SCHEMBL3213922 0.86 HSD11B1 (0.67) HSD11B1MEN1KMT2ALMNAPOLB
SCHEMBL3219485 0.83 HSD11B1 (0.50) HSD11B1MEN1KMT2AMAPT
SCHEMBL3198998 0.83 TRPV1 (0.48) HSD11B1MEN1KMT2ALMNATRPV1
SCHEMBL3205481 0.83 HSD11B1 (0.67) HSD11B1MEN1KMT2ATRPV1
SCHEMBL3213867 0.82 KMT2A (0.51) HSD11B1MEN1KMT2APOLBMAPT
SCHEMBL3219555 0.82 HSD11B1 (0.64) HSD11B1MEN1KMT2ALMNAPOLB
SCHEMBL19255971 0.80 HSD11B1 (1.00) HSD11B1
SCHEMBL13489663 0.79 TRPV1 (0.53) HSD11B1KMT2ALMNAPOLBTRPV1
SCHEMBL3212599 0.75 HSD11B1 (1.00) HSD11B1MEN1KMT2ALMNAPOLB

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 1/4885MEN1 1354/4885KMT2A 1609/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885MEN1 1687/4885KMT2A 1591/4885

“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.