SCHEMBL2172856

SCHEMBL2172856

CC1(COc2ccc(C=C3SC(=O)NC3=O)cc2Br)CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HPGD P15428 14/20 0.70
PARP1 P09874 1/20 0.70
PTPN1 P18031 4/20 0.62
CISD1 Q9NZ45 1/20 0.52

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
SCHEMBL2172853 1.00 HPGD (0.70) HPGDPARP1PTPN1CISD1
SCHEMBL12406318 1.00 HPGD (0.70) HPGDPARP1PTPN1CISD1
SCHEMBL12406331 0.87 HPGD (0.70) HPGDPARP1
SCHEMBL2174548 0.87 HPGD (0.70) HPGDPARP1
SCHEMBL2174545 0.87 HPGD (0.70) HPGDPARP1
SCHEMBL12406326 0.86 HPGD (0.69) HPGDPARP1
SCHEMBL2171398 0.86 HPGD (0.69) HPGDPARP1
SCHEMBL2171403 0.86 HPGD (0.69) HPGDPARP1
SCHEMBL2171875 0.85 HPGD (0.67) HPGDPARP1PTPN1
SCHEMBL2171881 0.85 HPGD (0.67) HPGDPARP1PTPN1

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-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US claimed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 US 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
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 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 (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 HPGD 183/4885PARP1 1402/4885PTPN1 2303/4885

“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.