SCHEMBL2174556

SCHEMBL2174556

COc1cc(C=C2SC(=O)NC2=O)ccc1OC(C)C1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.68
PIM1 P11309 2/20 0.68
PIM3 Q86V86 2/20 0.68
PIM2 Q9P1W9 2/20 0.68
HPGD P15428 12/20 0.68
IGF1R P08069 1/20 0.60
GSK3B P49841 2/20 0.58
CDC7 O00311 1/20 0.58
DAPK3 O43293 1/20 0.58
DYRK3 O43781 1/20 0.58
MAP4K4 O95819 1/20 0.58
PHKG2 P15735 1/20 0.58
RPS6KB1 P23443 1/20 0.58
CSNK1D P48730 1/20 0.58
CLK2 P49760 1/20 0.58
GSK3A P49840 1/20 0.58
NEK4 P51957 1/20 0.58
CSNK2A1 P68400 1/20 0.58
CSNK1G2 P78368 1/20 0.58
CAMK2D Q13557 1/20 0.58

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
SCHEMBL2171408 0.89 HPGD (0.69) PDE4BPIM1PIM3PIM2HPGD
SCHEMBL2785872 0.89 HPGD (0.69) PDE4BPIM1PIM3PIM2HPGD
SCHEMBL2786377 0.87 HPGD (0.68) PDE4BHPGD
SCHEMBL2172862 0.87 HPGD (0.68) PDE4BHPGD
SCHEMBL1300538 0.85 HPGD (0.69) PDE4BPIM1PIM3PIM2HPGD
SCHEMBL1300541 0.85 HPGD (0.69) PDE4BPIM1PIM3PIM2HPGD
SCHEMBL2171889 0.84 HPGD (0.66) PDE4BHPGD
SCHEMBL2788741 0.84 HPGD (0.66) PDE4BHPGD
SCHEMBL2175372 0.83 HPGD (0.66) PDE4BHPGDGSK3BMEN1KMT2A
SCHEMBL2786056 0.83 HPGD (0.66) PDE4BHPGDGSK3BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US claimed
EP-2254576-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS The Ohio State University Research Foundation (US) 2010-12-01 EP claimed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 US claimed
WO-2009105621-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-27 WO claimed
EP-2254576-B1 ANDROGEN RECEPTOR-ABLATIVE AGENTS UNIV OHIO STATE RES FOUND (US) 2013-08-28 EP disclosed
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US disclosed
EP-2254576-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS The Ohio State University Research Foundation (US) 2010-12-01 EP disclosed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 US disclosed
WO-2009105621-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-27 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 (1 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-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS AR, ESRRB, KLK3 PDE4B 832/4885PIM1 4023/4885PIM3 3631/4885

“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.