SCHEMBL770518

SCHEMBL770518

O=C(O)CCSC(=O)N1CCC2CCCCC2C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
CCKBR P32239 1/20 0.35
MBTD1 Q05BQ5 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
CNR2 P34972 7/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
F2 P00734 1/20 0.32
PLG P00747 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32

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
SCHEMBL770072 0.91 HSD11B1 (0.40) HSD11B1ITGB3ITGA2BCCKBRMBTD1
SCHEMBL772366 0.83 HSD11B1 (0.39) HSD11B1CNR2NPC1RAB9AKMT2A
SCHEMBL770695 0.78 HSD11B1 (0.46) HSD11B1ITGB3ITGA2BKMT2A
SCHEMBL770767 0.75 ITGB3 (0.48) HSD11B1ITGB3ITGA2BNPC1KMT2A
SCHEMBL770380 0.75 ITGB3 (0.48) HSD11B1ITGB3ITGA2BNPC1KMT2A
SCHEMBL794265 0.74 ALDH1A1 (0.39) HSD11B1KMT2ACYP1A2
SCHEMBL15377673 0.74 HDAC3 (0.37) HSD11B1KMT2A
SCHEMBL795113 0.74 SMN1; SMN2 (0.38) HSD11B1NPC1RAB9AKMT2AF2
SCHEMBL21820803 0.73 HTT (0.47) NPC1RAB9AKMT2ACYP1A2
SCHEMBL771655 0.73 HSD11B1 (0.51) HSD11B1MBTD1L3MBTL3CNR2NPC1

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 8 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-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-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
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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 HSD11B1 1/4885ITGB3 4856/4885ITGA2B 4854/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885ITGB3 4856/4885ITGA2B 4849/4885

“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.