SCHEMBL3222852

SCHEMBL3222852

O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.74
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
RECQL P46063 1/20 0.63
F13A1 P00488 1/20 0.57
TGM2 P21980 1/20 0.57
TGM1 P22735 1/20 0.57
MCOLN3 Q8TDD5 3/20 0.57
TSHR P16473 2/20 0.57
PKM P14618 6/20 0.56
PKLR P30613 1/20 0.56
LMNA P02545 3/20 0.55
HTT P42858 1/20 0.53

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
SCHEMBL3209913 0.88 HSD11B1 (0.72) HSD11B1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL3214231 0.85 HSD11B1 (1.00) HSD11B1MEN1KMT2ASMN1; SMN2F13A1
SCHEMBL3213169 0.85 HSD11B1 (1.00) HSD11B1
SCHEMBL3215041 0.83 PKM (0.65) HSD11B1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL3226058 0.82 HSD11B1 (0.77) HSD11B1MEN1KMT2ASMN1; SMN2F13A1
SCHEMBL3225922 0.81 HSD11B1 (0.76) HSD11B1MEN1KMT2AF13A1TGM2
SCHEMBL18134604 0.81 MCOLN3 (0.83) MEN1KMT2ASMN1; SMN2MCOLN3TSHR
SCHEMBL23051855 0.81 SMN1; SMN2 (0.71) HSD11B1MEN1KMT2ASMN1; SMN2MCOLN3
SCHEMBL3212035 0.81 CTDSP1 (0.62) HSD11B1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL3210528 0.81 HSD11B1 (0.50) HSD11B1MEN1KMT2ASMN1; SMN2RECQL

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.