SCHEMBL5098623

SCHEMBL5098623

CSc1nnc(C23CC4CC(CC(C4)C2)C3)n1CCCCOC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.41
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.37
CNR2 P34972 1/20 0.34
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.30
EPHX2 P34913 1/20 0.30
ECE1 P42892 1/20 0.30

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
SCHEMBL5098627 0.90 HSD11B1 (0.42) HSD11B1MEN1ALDH1A1KMT2AMAPK1
Trifluoroacetic Acid SCHEMBL6354775 0.83 HSD11B1 (0.43) HSD11B1MEN1ALDH1A1KMT2AMAPK1
SCHEMBL5095806 0.80 MEN1 (0.49) HSD11B1MEN1ALDH1A1KMT2AMAPK1
SCHEMBL5097999 0.80 MEN1 (0.42) HSD11B1MEN1ALDH1A1KMT2AMAPK1
SCHEMBL14277213 0.79 HSD11B1 (0.51) HSD11B1MEN1ALDH1A1KMT2AMAPK1
SCHEMBL5092207 0.76 ALDH1A1 (0.37) HSD11B1MEN1ALDH1A1KMT2AMAPK1
Trifluoroacetic Acid SCHEMBL6356669 0.73 HSD11B1 (0.44) HSD11B1MEN1ALDH1A1KMT2AMAPK1
SCHEMBL5092201 0.71 HSD11B1 (0.60) HSD11B1MEN1ALDH1A1KMT2AMAPK1
SCHEMBL14277211 0.68 HSD11B1 (0.52) HSD11B1MEN1ALDH1A1KMT2AMAPK1
SCHEMBL5104562 0.67 HSD11B1 (0.51) HSD11B1MEN1ALDH1A1KMT2AMAPK1

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 2 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-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 1/4885MEN1 2285/4885ALDH1A1 688/4885

“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.