SCHEMBL924349

SCHEMBL924349

CCC(=O)c1cc(O)c(=O)n2c1CCC2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.44
PDE3A Q14432 8/20 0.44
HSP90AB1 P08238 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HMGCR P04035 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
PTGS1 P23219 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
DRD3 P35462 1/20 0.35
KMT2A Q03164 1/20 0.35
CA9 Q16790 1/20 0.35
KCNK3 O14649 2/20 0.34
PTGS2 P35354 2/20 0.34
CDK2 P24941 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL923890 0.75 PDE3B (0.41) PDE3BPDE3AHMGCRDRD3
SCHEMBL16142395 0.70 PDE3B (0.59) PDE3BPDE3AALDH1A1GAAMAPK1
SCHEMBL20939866 0.66 PDE3B (0.41) PDE3BPDE3AALDH1A1GAACYP3A4
SCHEMBL20939754 0.65 PDE3B (0.40) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL2988486 0.65 ALOX15 (0.69) HSP90AB1ALDH1A1HMGCRMAPK1PTGS1
SCHEMBL711780 0.64 ALDH1A1 (0.65) PDE3BPDE3AALDH1A1GAAMAPK1
SCHEMBL11453172 0.64 HMGCR (0.51) HSP90AB1ALDH1A1HMGCRGAAMAPK1
SCHEMBL29258061 0.64 HMGCR (0.51) HSP90AB1ALDH1A1HMGCRGAAMAPK1
SCHEMBL13613772 0.64 ALDH1A1 (0.62) ALDH1A1GAAMAPK1MEN1CYP3A4
SCHEMBL698338 0.63 PDE3B (0.58) PDE3BPDE3AALDH1A1GAAMAPK1

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-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
EP-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 EP disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007062007-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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP PDE3B 304/4885PDE3A 480/4885HSP90AB1 3965/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP PDE3B 304/4885PDE3A 480/4885HSP90AB1 3965/4885

“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.