SCHEMBL1937359

SCHEMBL1937359

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.51
▸ ELANE P08246 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GCK P35557 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ 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
SCHEMBL2427953 0.87 GAA (0.52) GAAELANEALDH1A1KMT2AMEN1
SCHEMBL8787182 0.79 ALDH1A1 (0.50) GAAALDH1A1KDM4EMAPTRAB9A
SCHEMBL5422287 0.74 ALDH1A1 (0.60) GAAELANEALDH1A1KDM4EMAPT
SCHEMBL12291598 0.74 ALDH1A1 (0.60) GAAELANEALDH1A1KDM4EMAPT
SCHEMBL14256476 0.71 CYP1A2 (0.50) ALDH1A1KDM4EMAPTRAB9ANPSR1
SCHEMBL12478036 0.71 LMNA (0.47) GAAALDH1A1KDM4EMAPTRAB9A
SCHEMBL5398141 0.71 ALDH1A1 (0.44) GAAALDH1A1KDM4EMAPTRAB9A
SCHEMBL5398146 0.71 ALDH1A1 (0.44) GAAALDH1A1KDM4EMAPTRAB9A
SCHEMBL11726171 0.71 LMNA (0.47) GAAALDH1A1KDM4EMAPTRAB9A
SCHEMBL5398176 0.71 ALDH1A1 (0.44) GAAALDH1A1KDM4EMAPTRAB9A

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 8 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
CN-102131775-B The micromolecular inhibitor that androgen receptor N-is terminal activating BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2015-12-16 — — CN 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
EP-2331501-A1 SMALL MOLECULE INHIBITORS OF N-TERMINUS ACTIVATION OF THE ANDROGEN RECEPTOR British Columbia Cancer Agency Branch (CA) 2011-06-15 — — EP disclosed
WO-2010020055-A1 SMALL MOLECULE INHIBITORS OF N-TERMINUS ACTIVATION OF THE ANDROGEN RECEPTOR BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2010-02-25 — — 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-20170239216-A1 SMALL MOLECULE INHIBITORS OF N-TERMINUS ACTIVATION OF THE ANDROGEN RECEPTOR AR, KLK3, NR5A1 GAA 3268/4885ELANE 1145/4885ALDH1A1 2692/4885
US-20110230539-A1 Small Molecule Inhibitors of N-Terminus Activation of the Androgen Receptor AR, KLK3, NR5A1 GAA 3268/4885ELANE 1145/4885ALDH1A1 2692/4885

“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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