SCHEMBL3243147

SCHEMBL3243147

Cc1ccc(S(=O)(=O)OC[C@@H](O)CCC(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
STAT3 P40763 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MDM2 Q00987 1/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 2/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
DHODH Q02127 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL3243149 1.00 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1STAT3NPC1
SCHEMBL3243145 1.00 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1STAT3NPC1
SCHEMBL140992 0.87 STAT3 (0.46) ALDH1A1KMT2AMEN1STAT3CA2
SCHEMBL8064681 0.87 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1STAT3CA2
SCHEMBL8064678 0.87 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1STAT3CA2
SCHEMBL8064683 0.87 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1STAT3CA2
SCHEMBL13096088 0.86 CA1 (0.41) ALDH1A1KMT2AMEN1STAT3NPC1
SCHEMBL4921663 0.86 STAT3 (0.41) ALDH1A1STAT3CA2CA9CA12
SCHEMBL4921650 0.86 STAT3 (0.41) ALDH1A1STAT3CA2CA9CA12
SCHEMBL4929727 0.86 STAT3 (0.41) ALDH1A1STAT3CA2CA9CA12

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 893/4885KMT2A 1202/4885MEN1 571/4885

“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.