SCHEMBL2177900

SCHEMBL2177900

COc1ccc(C(=O)OC[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.46
ADRB1 P08588 7/20 0.46
ADRB3 P13945 7/20 0.46
ALDH1A1 P00352 3/20 0.42
SLC2A1 P11166 1/20 0.41
ESR2 Q92731 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
ELANE P08246 1/20 0.39
PKM P14618 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
SCHEMBL2177911 1.00 ADRB2 (0.46) ADRB2ADRB1ADRB3ALDH1A1SLC2A1
SCHEMBL29235868 0.79 ADRB2 (0.51) ADRB2ADRB1ADRB3ALDH1A1LMNA
SCHEMBL25893164 0.76 ADRB2 (0.45) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2
SCHEMBL2901122 0.75 PRKCA (0.32)
SCHEMBL824552 0.74 PTPN1 (0.59) ADRB2ADRB1ADRB3ALDH1A1ESR2
SCHEMBL2901124 0.74 PRKCA (0.31)
SCHEMBL2901126 0.74 PRKCA (0.31)
SCHEMBL11938508 0.74 SMN1; SMN2 (0.43) ADRB2ADRB1ADRB3ALDH1A1SLC2A1
SCHEMBL19460338 0.73 PRKCA (0.30)
SCHEMBL19460337 0.73 PRKCA (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973047-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-07-05 US disclosed
US-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 US disclosed
US-7745484-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-06-29 US disclosed
EP-1971598-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-09-24 EP disclosed
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 US disclosed
WO-2007061670-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 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 (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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP ADRB2 863/4885ADRB1 462/4885ADRB3 576/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP ADRB2 863/4885ADRB1 462/4885ADRB3 576/4885

“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.