SCHEMBL5092207

SCHEMBL5092207

Nn1c(SCCCOC(=O)C(F)(F)F)nnc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.35
HSD11B1 P28845 2/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL5095806 0.88 MEN1 (0.49) ALDH1A1MEN1KMT2AMAPK1HSD11B1
Trifluoroacetic Acid SCHEMBL6357623 0.83 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPK1LMNA
SCHEMBL14277203 0.78 HSD11B1 (0.37) ALDH1A1MEN1KMT2AMAPK1LMNA
Trifluoroacetic Acid SCHEMBL5092061 0.77 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPK1LMNA
SCHEMBL5098627 0.77 HSD11B1 (0.42) ALDH1A1MEN1KMT2AMAPK1HSD11B1
SCHEMBL5098623 0.76 HSD11B1 (0.41) ALDH1A1MEN1KMT2AMAPK1HSD11B1
SCHEMBL14277202 0.70 HSD11B1 (0.44) ALDH1A1MEN1KMT2AMAPK1LMNA
Trifluoroacetic Acid SCHEMBL6357956 0.70 MAPK1 (0.47) ALDH1A1MEN1KMT2AMAPK1HSD11B1
SCHEMBL5097999 0.70 MEN1 (0.42) ALDH1A1MEN1KMT2AMAPK1LMNA
SCHEMBL5104768 0.69 NPC1 (0.36) ALDH1A1MEN1KMT2AMAPK1LMNA

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 ALDH1A1 688/4885MEN1 2285/4885KMT2A 2645/4885

“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.