SCHEMBL3205508

SCHEMBL3205508

O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
HSD11B1 P28845 2/20 0.54
RBP4 P02753 4/20 0.53
GAA P10253 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.49
EPHX2 P34913 1/20 0.49
KDM4E B2RXH2 2/20 0.48
TSHR P16473 1/20 0.48
TP53 P04637 1/20 0.48
CCR6 P51684 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR2C P28335 1/20 0.47
TRPV4 Q9HBA0 1/20 0.47
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL3221289 0.91 HSD11B1 (0.64) KMT2AMEN1HSD11B1RBP4GAA
SCHEMBL3215762 0.89 GPR183 (0.53) KMT2AMEN1HSD11B1RBP4GAA
SCHEMBL3209386 0.89 HSD11B1 (0.55) KMT2AMEN1HSD11B1RBP4ALDH1A1
SCHEMBL3210171 0.86 RBP4 (0.61) KMT2AHSD11B1RBP4GAAKDM4E
SCHEMBL3224467 0.85 HSD11B1 (0.57) KMT2AMEN1HSD11B1RBP4GAA
SCHEMBL3225970 0.85 MEN1 (0.56) KMT2AMEN1RBP4MAPTEPHX2
SCHEMBL3201836 0.84 LMNA (0.60) KMT2AMEN1HSD11B1RBP4ALDH1A1
SCHEMBL3219555 0.84 HSD11B1 (0.64) KMT2AMEN1HSD11B1RBP4MAPT
SCHEMBL3224261 0.83 KMT2A (0.70) KMT2AMEN1RBP4ALDH1A1L3MBTL1
SCHEMBL3223484 0.81 HTR2A (0.53) KMT2AMEN1RBP4MAPTTSHR

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

“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.