SCHEMBL5098587

SCHEMBL5098587

Cn1c(SCCC2OCCO2)nnc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD11B1 P28845 7/20 0.41
GAA P10253 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HSD17B1 P14061 1/20 0.32
HTT P42858 1/20 0.31
IL15 P40933 1/20 0.30
IL15RA Q13261 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
SCHEMBL5098689 0.95 MAPK1 (0.45) MAPK1ALDH1A1MEN1KMT2AHSD11B1
SCHEMBL14277204 0.81 MAPK1 (0.49) MAPK1ALDH1A1MEN1KMT2AHSD11B1
SCHEMBL5104768 0.81 NPC1 (0.36) MAPK1ALDH1A1MEN1KMT2AHSD11B1
SCHEMBL2667476 0.78 MEN1 (0.53) MAPK1ALDH1A1MEN1KMT2AHSD11B1
SCHEMBL5095918 0.73 HSD11B1 (0.51) MAPK1ALDH1A1MEN1KMT2AHSD11B1
Trifluoroacetic Acid SCHEMBL6357956 0.72 MAPK1 (0.47) MAPK1ALDH1A1MEN1KMT2AHSD11B1
SCHEMBL5098113 0.72 ALDH1A1 (0.49) MAPK1ALDH1A1MEN1KMT2AHSD11B1
SCHEMBL5092143 0.71 HSD11B1 (0.62) MAPK1ALDH1A1MEN1KMT2AHSD11B1
SCHEMBL5095806 0.71 MEN1 (0.49) MAPK1ALDH1A1MEN1KMT2AHSD11B1
SCHEMBL5092083 0.70 MEN1 (0.48) MAPK1ALDH1A1MEN1KMT2AHSD11B1

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 4 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-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 MAPK1 358/4885ALDH1A1 688/4885MEN1 2285/4885

“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.