SCHEMBL771013

SCHEMBL771013

O=C(CCCS(=O)(=O)N1CCC2CCCC=C2C1)N1CCC(O)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
NPC1 O15118 1/20 0.32
NAMPT P43490 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 2/20 0.31
IKBKB O14920 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
ATM Q13315 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 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
SCHEMBL772378 0.91 ATM (0.37) NPC1SMN1; SMN2ATMALDH1A1HPGD
SCHEMBL770956 0.91 ATM (0.37) NPC1SMN1; SMN2ATMALDH1A1HPGD
SCHEMBL771023 0.91 ATM (0.37) NPC1SMN1; SMN2ATMALDH1A1HPGD
SCHEMBL771175 0.91 NPC1 (0.45) CHRM2CHRM4CHRM1CHRM3NPC1
SCHEMBL770922 0.89 CHRM2 (0.37) CHRM2CHRM4CHRM1CHRM3NAMPT
SCHEMBL770773 0.88 POLB (0.32) SMN1; SMN2LMNAMAPK1ALDH1A1MAPT
SCHEMBL770914 0.87 HDAC1 (0.33) SMN1; SMN2LMNAMAPK1
SCHEMBL770723 0.87 SMN1; SMN2 (0.33) NAMPTSMN1; SMN2LMNAMAPK1ALDH1A1
SCHEMBL771015 0.85 KMT2A (0.36) NPC1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL770328 0.84 USP5 (0.34) IKBKBALDH1A1

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.