SCHEMBL771628

SCHEMBL771628

COC(=O)CCCS(=O)(=O)N1CCC2CCCC=C2C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.35
NAMPT P43490 1/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
IKBKB O14920 1/20 0.32
SMYD3 Q9H7B4 3/20 0.32
EPHX2 P34913 1/20 0.32
ELOVL6 Q9H5J4 1/20 0.31

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
SCHEMBL770552 0.93 ALDH1A1 (0.37) ALDH1A1PKMNPC1HSD17B10TSHR
SCHEMBL770328 0.86 USP5 (0.34) ALDH1A1IKBKBSMYD3
SCHEMBL771023 0.82 ATM (0.37) ALDH1A1NPC1HPGDNPSR1
SCHEMBL772378 0.82 ATM (0.37) ALDH1A1NPC1HPGDNPSR1
SCHEMBL770956 0.82 ATM (0.37) ALDH1A1NPC1HPGDNPSR1
SCHEMBL771175 0.82 NPC1 (0.45) ALDH1A1NPC1NAMPTMAPTHPGD
SCHEMBL771111 0.81 CNR1 (0.37) ALDH1A1IKBKB
SCHEMBL771013 0.81 CHRM2 (0.34) ALDH1A1NPC1NAMPTMAPTHPGD
SCHEMBL771015 0.80 KMT2A (0.36) ALDH1A1NPC1HSD17B10TSHRMAPT
SCHEMBL770781 0.80 PDE3B (0.39)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP 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-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 ALDH1A1 144/4885PKM 1551/4885NPC1 97/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 142/4885PKM 1554/4885NPC1 104/4885

“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.