SCHEMBL770641

SCHEMBL770641

O=C(CCCS(=O)(=O)N1CCCC2CCCC=C21)N1CCC(O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
NPC1 O15118 3/20 0.33
HPGD P15428 2/20 0.32
LMNA P02545 2/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
F10 P00742 2/20 0.30
MAPK1 P28482 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL770150 0.91 POLB (0.40) NPC1HPGDMEN1ALDH1A1KMT2A
SCHEMBL770148 0.91 POLB (0.40) NPC1HPGDMEN1ALDH1A1KMT2A
SCHEMBL771132 0.91 POLB (0.40) NPC1HPGDMEN1ALDH1A1KMT2A
SCHEMBL770874 0.90 NPC1 (0.47) CHRM2CHRM4CHRM1CHRM3NPC1
SCHEMBL771723 0.89 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3NPC1
SCHEMBL770815 0.88 ALDH1A1 (0.31) NPC1HPGDALDH1A1POLBATM
SCHEMBL770972 0.86 HDAC1 (0.34) POLB
SCHEMBL771257 0.85 HTR7 (0.35) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL772409 0.84 KMT2A (0.50) CHRM2CHRM4CHRM1CHRM3HPGD
SCHEMBL770606 0.84 KMT2A (0.39) NPC1HPGDMEN1ALDH1A1KMT2A

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.