SCHEMBL3223519

SCHEMBL3223519

O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(C2CC3CCC2C3)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
RAB9A P51151 1/20 0.49
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.44
HSD11B1 P28845 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
KDM2B Q8NHM5 1/20 0.42
HSP90AA1 P07900 2/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL13698539 0.77 MAPT (0.48) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL12550197 0.75 MEN1 (0.62) MEN1KMT2AHSD11B1POLB
SCHEMBL3218831 0.74 ALDH1A1 (0.56) MEN1KMT2ARAB9AMAPK1ALDH1A1
SCHEMBL494192 0.72 KDM4E (0.74) MEN1KMT2ARAB9AMAPK1ALDH1A1
SCHEMBL14847757 0.72 RAB9A (0.55) RAB9AMAPK1HSD11B1L3MBTL1KDM4E
SCHEMBL8049609 0.71 RAB9A (0.85) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL493045 0.71 POLB (0.72) MEN1KMT2ARAB9AMAPK1ALDH1A1
SCHEMBL3205229 0.70 HTR6 (0.50) MEN1KMT2AL3MBTL1
SCHEMBL27979614 0.70 KDM4E (0.50) MEN1KMT2AALDH1A1HSD11B1KDM4E
SCHEMBL14829559 0.70 RAB9A (0.52) MEN1KMT2ARAB9AMAPK1HSD11B1

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 MEN1 1354/4885KMT2A 1609/4885RAB9A 3470/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 MEN1 1687/4885KMT2A 1591/4885RAB9A 3846/4885

“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.