SCHEMBL2427953

SCHEMBL2427953

CC(C)C[C@H](NN1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.52
▸ ELANE P08246 1/20 0.46
▸ MMP1 P03956 3/20 0.46
▸ MMP9 P14780 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ MME P08473 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ NTSR1 P30989 1/20 0.43

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
SCHEMBL1937359 0.87 GAA (0.51) GAAELANEALDH1A1MEN1KMT2A
SCHEMBL11360473 0.81 ALDH1A1 (0.47) GAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7265100 0.80 ALDH1A1 (0.56) GAAMMP9ALDH1A1MMEMEN1
SCHEMBL7272751 0.80 ALDH1A1 (0.56) GAAMMP9ALDH1A1MMEMEN1
SCHEMBL11726171 0.79 LMNA (0.47) GAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL12478036 0.79 LMNA (0.47) GAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL29132822 0.79 KDM4E (0.57) GAAMMP9ALDH1A1MEN1KMT2A
SCHEMBL29132823 0.79 KDM4E (0.57) GAAMMP9ALDH1A1MEN1KMT2A
SCHEMBL30660068 0.79 KDM4E (0.57) GAAMMP9ALDH1A1MEN1KMT2A
SCHEMBL8624980 0.76 METAP2 (0.41) GAAMMP9ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170239216-A1 SMALL MOLECULE INHIBITORS OF N-TERMINUS ACTIVATION OF THE ANDROGEN RECEPTOR THE UNITED STATES GOVERNMENT 2017-08-24 — — US disclosed
US-9487479-B2 Small molecule inhibitors of N-terminus activation of the androgen receptor THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-11-08 — — US disclosed
EP-2331501-B1 SMALL MOLECULE INHIBITORS OF N-TERMINUS ACTIVATION OF THE ANDROGEN RECEPTOR BRITISH COLUMBIA CANCER AGENCY (CA) 2016-07-20 — — EP disclosed
US-20110230539-A1 Small Molecule Inhibitors of N-Terminus Activation of the Androgen Receptor THE UNITED STATES GOVERNMENT 2011-09-22 — — US disclosed
CN-102131775-A Small molecule inhibitors of N-terminus activation of the androgen receptor BRITISH COLUMBIA CANCER AGENCY 2011-07-20 — — CN 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-20170239216-A1 SMALL MOLECULE INHIBITORS OF N-TERMINUS ACTIVATION OF THE ANDROGEN RECEPTOR AR, KLK3, NR5A1 GAA 3268/4885ELANE 1145/4885MMP1 3039/4885
US-20110230539-A1 Small Molecule Inhibitors of N-Terminus Activation of the Androgen Receptor AR, KLK3, NR5A1 GAA 3268/4885ELANE 1145/4885MMP1 3039/4885

“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.

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