SCHEMBL3238253

SCHEMBL3238253

CCCSc1cccc(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HPGD P15428 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
UNG P13051 1/20 0.38
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
FDPS P14324 1/20 0.38

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
SCHEMBL1710647 0.90 ALDH1A1 (0.41) ALDH1A1HPGDL3MBTL1MAPTTDP1
SCHEMBL11443820 0.87 THRB (0.40) ALDH1A1HPGDL3MBTL1MAPTTDP1
SCHEMBL11443833 0.87 THRB (0.40) ALDH1A1HPGDL3MBTL1MAPTTDP1
SCHEMBL10497865 0.87 THRB (0.40) ALDH1A1HPGDL3MBTL1MAPTTDP1
SCHEMBL11429530 0.87 THRB (0.40) ALDH1A1HPGDL3MBTL1MAPTTDP1
SCHEMBL11431899 0.87 THRB (0.40) ALDH1A1HPGDL3MBTL1MAPTTDP1
SCHEMBL11431849 0.87 THRB (0.40) ALDH1A1HPGDL3MBTL1MAPTTDP1
SCHEMBL11430039 0.87 THRB (0.40) ALDH1A1HPGDL3MBTL1MAPTTDP1
SCHEMBL5883355 0.85 ALDH1A1 (0.44) ALDH1A1HPGDL3MBTL1MAPTTDP1
SCHEMBL3035720 0.84 MAOA (0.39) ALDH1A1HPGDMAPTNPSR1CA12

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-7745438-B2 3-(2-acylamino-1-hydroxyethyl)-morpholine derivatives and their use as bace inhibitors ELI LILLY AND COMPANY (US) 2010-06-29 US disclosed
EP-2091928-A2 3-(2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2009-08-26 EP disclosed
US-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
WO-2006034093-A2 3- (2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELLI LILLY AND COMPANY (US) 2006-03-30 WO 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 (1 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-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors BACE1, BACE2, APP ALDH1A1 893/4885HPGD 2789/4885L3MBTL1 3758/4885

“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.