SCHEMBL771725

SCHEMBL771725

O=C(CCCS(=O)(=O)N1CCCC2CCCCC21)N1CCCC(O)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PREP P48147 1/20 0.35
ATM Q13315 1/20 0.33

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
SCHEMBL771724 1.00 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL770642 0.88 NPC1 (0.37) CHRM2CHRM4CHRM1CHRM3ATM
SCHEMBL770149 0.88 ATM (0.44) MEN1KMT2APOLBPREPATM
SCHEMBL770151 0.88 ATM (0.44) MEN1KMT2APOLBPREPATM
SCHEMBL771133 0.88 ATM (0.44) MEN1KMT2APOLBPREPATM
SCHEMBL772410 0.87 KMT2A (0.55) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL771258 0.87 MEN1 (0.36) MEN1KMT2APOLBMAPT
SCHEMBL794149 0.82 KMT2A (0.43) MEN1KMT2APOLBMAPTPREP
SCHEMBL770923 0.82 KMT2A (0.39) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL15380801 0.82 KMT2A (0.39) CHRM2CHRM4CHRM1CHRM3MEN1

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-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 CHRM2 4196/4885CHRM4 4532/4885CHRM1 3030/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 CHRM2 4205/4885CHRM4 4539/4885CHRM1 3021/4885

“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.