SCHEMBL3221289

SCHEMBL3221289

CC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.64
TP53 P04637 1/20 0.57
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
MAOA P21397 1/20 0.52
KMT2A Q03164 3/20 0.49
RBP4 P02753 1/20 0.49
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL3205508 0.91 KMT2A (0.54) HSD11B1TP53GAAKMT2ARBP4
SCHEMBL3215762 0.85 GPR183 (0.53) HSD11B1GAAKMT2ARBP4MEN1
SCHEMBL3209386 0.85 HSD11B1 (0.55) HSD11B1TP53LMNAKMT2ARBP4
SCHEMBL3224467 0.85 HSD11B1 (0.57) HSD11B1GAAKMT2ARBP4MEN1
SCHEMBL3225970 0.82 MEN1 (0.56) KMT2ARBP4MEN1
SCHEMBL3224261 0.82 KMT2A (0.70) KMT2ARBP4MEN1POLB
SCHEMBL3205481 0.82 HSD11B1 (0.67) HSD11B1TP53KMT2AMEN1
SCHEMBL3210171 0.81 RBP4 (0.61) HSD11B1GAALMNAKMT2ARBP4
SCHEMBL3219555 0.81 HSD11B1 (0.64) HSD11B1LMNAKMT2ARBP4MEN1
SCHEMBL3201836 0.81 LMNA (0.60) HSD11B1LMNAKMT2ARBP4MEN1

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 1/4885TP53 4455/4885GAA 2353/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885TP53 4733/4885GAA 2688/4885

“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.