SCHEMBL5098053

SCHEMBL5098053

Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.67
LRRK2 Q5S007 1/20 0.40
PTGS2 P35354 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS1 P23219 1/20 0.37

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
SCHEMBL5092195 0.84 HSD11B1 (0.78) HSD11B1SMN1; SMN2ALDH1A1HPGD
SCHEMBL5095896 0.81 HSD11B1 (0.74) HSD11B1
SCHEMBL14301752 0.81 HSD11B1 (0.74) HSD11B1ALDH1A1
SCHEMBL5105117 0.81 HSD11B1 (0.74) HSD11B1ALDH1A1
SCHEMBL5098612 0.81 HSD11B1 (0.74) HSD11B1ALDH1A1HPGD
Fig 1 SCHEMBL5095865 0.81 HSD11B1 (1.00) HSD11B1SMN1; SMN2
SCHEMBL5092127 0.81 HSD11B1 (0.69) HSD11B1ALDH1A1
SCHEMBL5095961 0.79 HSD11B1 (0.71) HSD11B1
SCHEMBL5104995 0.79 HSD11B1 (0.71) HSD11B1ALDH1A1
SCHEMBL5098044 0.79 HSD11B1 (0.71) HSD11B1KDM4EALDH1A1

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-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME CORP. 2005-03-31 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 (1 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-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885LRRK2 4519/4885PTGS2 1067/4885

“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.