SCHEMBL3209230

SCHEMBL3209230

O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cccc(F)c2C(F)(F)F)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.57
ALDH1A1 P00352 2/20 0.51
LMNA P02545 5/20 0.50
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 4/20 0.49
MAPK1 P28482 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ATM Q13315 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
USP2 O75604 1/20 0.47
PKM P14618 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
SCHEMBL3201922 0.88 HSD11B1 (0.69) HSD11B1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL3205817 0.86 HSD11B1 (0.76) HSD11B1ALDH1A1LMNATSHRMAPK1
SCHEMBL3221923 0.83 ALDH1A1 (0.52) HSD11B1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL3215041 0.82 PKM (0.65) HSD11B1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL3226058 0.81 HSD11B1 (0.77) HSD11B1LMNAHTTSMN1; SMN2TSHR
SCHEMBL3213328 0.76 HSD11B1 (0.80) HSD11B1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4948991 0.76 PKM (0.59) HSD11B1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5309988 0.74 HTT (0.73) HSD11B1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5257034 0.74 HTT (0.67) HSD11B1ALDH1A1LMNAHTTTSHR
SCHEMBL5251544 0.74 LMNA (0.78) HSD11B1LMNAHTTSMN1; SMN2TSHR

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 1/4885ALDH1A1 116/4885LMNA 3748/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885ALDH1A1 123/4885LMNA 3681/4885

“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.