SCHEMBL794265

SCHEMBL794265

CN(C(=O)CCCSC(=O)N1CCC2CCCCC2C1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
PKM P14618 1/20 0.39
SIGMAR1 Q99720 1/20 0.36
PDE3B Q13370 8/20 0.36
PDE3A Q14432 8/20 0.36
HSD11B1 P28845 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPBWR1 P48145 1/20 0.34
BACE1 P56817 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PDE5A O76074 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
PTAFR P25105 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 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
SCHEMBL794234 0.83 GNAI3 (0.42) ALDH1A1PKMSIGMAR1HSD11B1MEN1
SCHEMBL802579 0.80 ALDH1A1 (0.40) ALDH1A1PKMSIGMAR1PDE3BPDE3A
SCHEMBL770072 0.80 HSD11B1 (0.40) HSD11B1MEN1KMT2ACYP1A2
SCHEMBL10138022 0.77 ALDH1A1 (0.41) ALDH1A1PKMSIGMAR1HSD11B1MEN1
SCHEMBL15377673 0.77 HDAC3 (0.37) HSD11B1MEN1KMT2ABACE1POLB
SCHEMBL770518 0.74 HSD11B1 (0.42) HSD11B1KMT2ACYP1A2
SCHEMBL770782 0.74 PDE3B (0.38) ALDH1A1PKMSIGMAR1PDE3BPDE3A
SCHEMBL772366 0.73 HSD11B1 (0.39) ALDH1A1HSD11B1KMT2APOLB
SCHEMBL10722325 0.72 ALDH1A1 (0.56) ALDH1A1PKMPDE3BPDE3AMEN1
SCHEMBL10453317 0.72 ALDH1A1 (0.56) ALDH1A1PDE3BPDE3AMEN1KMT2A

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 7 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-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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 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 ALDH1A1 144/4885PKM 1551/4885SIGMAR1 3447/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 142/4885PKM 1554/4885SIGMAR1 3410/4885

“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.