SCHEMBL3219612

SCHEMBL3219612

C[C@@H]1CN(c2ccccc2C(F)(F)F)CCN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.65
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL3218150 0.87 HSD11B1 (0.72) HSD11B1
SCHEMBL3219362 0.81 HSD11B1 (0.72) HSD11B1
SCHEMBL3212878 0.81 HSD11B1 (0.78) HSD11B1
SCHEMBL3224246 0.79 HSD11B1 (1.00) HSD11B1
SCHEMBL3201944 0.76 HSD11B1 (0.58) HSD11B1
SCHEMBL3205562 0.74 HSD11B1 (0.68) HSD11B1KMT2A
SCHEMBL3205554 0.74 HSD11B1 (0.68) HSD11B1KMT2A
SCHEMBL3219337 0.74 HSD11B1 (0.72) HSD11B1
SCHEMBL3211294 0.74 HSD11B1 (0.72) HSD11B1
SCHEMBL3213320 0.74 HSD11B1 (0.75) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US claimed
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 1/4885LMNA 3748/4885TSHR 3335/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885LMNA 3681/4885TSHR 2942/4885

“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.