SCHEMBL3198998

SCHEMBL3198998

O=S(=O)(c1c(Cl)cccc1Cl)N1CCC(c2ncccc2C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.48
HSD11B1 P28845 13/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATM Q13315 1/20 0.44
CNR1 P21554 1/20 0.43

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
SCHEMBL3213867 0.87 KMT2A (0.51) TRPV1HSD11B1KMT2AMEN1CNR1
SCHEMBL3212924 0.85 HSD11B1 (0.65) TRPV1HSD11B1LMNA
SCHEMBL3224328 0.83 HSD11B1 (0.67) TRPV1HSD11B1KMT2AMEN1LMNA
SCHEMBL3209708 0.82 MEN1 (0.47) TRPV1HSD11B1KMT2AMEN1LMNA
SCHEMBL13489663 0.82 TRPV1 (0.53) TRPV1HSD11B1KMT2ALMNA
SCHEMBL3225849 0.81 RBP4 (0.52) KMT2AMEN1ATMCNR1
SCHEMBL3205481 0.79 HSD11B1 (0.67) TRPV1HSD11B1KMT2AMEN1
SCHEMBL3213922 0.78 HSD11B1 (0.67) HSD11B1KMT2AMEN1LMNAGAA
SCHEMBL1690182 0.75 TRPV1 (0.53) TRPV1HSD11B1
SCHEMBL1459053 0.73 TRPV1 (0.66) TRPV1HSD11B1GAA

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 TRPV1 4793/4885HSD11B1 1/4885KMT2A 1609/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 TRPV1 4707/4885HSD11B1 1/4885KMT2A 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.