SCHEMBL2176353

SCHEMBL2176353

COc1ccc2c(c1)C(=O)C(Cl)C(C)(C)C2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
METAP1 P53582 4/20 0.46
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP19A1 P11511 1/20 0.41
PPIB P23284 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP2 O95551 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
SCHEMBL30176810 0.73 METAP1 (0.53) ACHEMETAP1PDE3BPDE3AALDH1A1
SCHEMBL2351080 0.73 METAP1 (0.53) ACHEMETAP1PDE3BPDE3AALDH1A1
SCHEMBL992002 0.73 ACHE (0.56) ACHEMETAP1ALDH1A1CYP19A1CYP3A4
SCHEMBL30715530 0.73 ACHE (0.56) ACHEMETAP1ALDH1A1CYP19A1CYP3A4
SCHEMBL2175443 0.72 PDE3B (0.50) ACHEMETAP1PDE3BPDE3AALDH1A1
SCHEMBL19737862 0.72 METAP1 (0.51) ACHEMETAP1PDE3BPDE3AALDH1A1
SCHEMBL227930 0.71 METAP1 (0.47) ACHEMETAP1ALDH1A1CYP19A1CA1
SCHEMBL3860892 0.70 ACHE (1.00) ACHEMETAP1CYP19A1
SCHEMBL29894949 0.70 ACHE (1.00) ACHEMETAP1CYP19A1
SCHEMBL7505165 0.70 HPGD (0.60) ACHEMETAP1PDE3BPDE3AALDH1A1

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-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
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP ACHE 11/4885METAP1 388/4885PDE3B 427/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP ACHE 11/4885METAP1 388/4885PDE3B 427/4885

“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.