SCHEMBL2173446

SCHEMBL2173446

COc1cc(C=C2SC(=O)N(CC3(C)CCCCC3)C2=O)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.59
ACP1 P24666 1/20 0.59
PDE4B Q07343 1/20 0.58
GSK3B P49841 3/20 0.54
CDC7 O00311 2/20 0.54
DAPK3 O43293 2/20 0.54
DYRK3 O43781 2/20 0.54
MAP4K4 O95819 2/20 0.54
PIM1 P11309 2/20 0.54
RPS6KB1 P23443 2/20 0.54
CSNK1D P48730 2/20 0.54
CLK2 P49760 2/20 0.54
GSK3A P49840 2/20 0.54
NEK4 P51957 2/20 0.54
CSNK1G2 P78368 2/20 0.54
CAMK2D Q13557 2/20 0.54
DYRK1A Q13627 2/20 0.54
PIM3 Q86V86 2/20 0.54
MINK1 Q8N4C8 2/20 0.54
HIPK4 Q8NE63 2/20 0.54

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
SCHEMBL2173442 1.00 PTPN1 (0.59) PTPN1ACP1PDE4BGSK3BCDC7
SCHEMBL12712426 0.87 AURKA (0.55) PTPN1ACP1MEN1KMT2APOLB
SCHEMBL2171469 0.86 HSD17B3 (0.52) MEN1KMT2ACISD1ATMLMNA
SCHEMBL2171461 0.86 HSD17B3 (0.52) MEN1KMT2ACISD1ATMLMNA
SCHEMBL2171019 0.85 IGF1R (0.55) PTPN1ACP1MEN1KMT2APOLB
SCHEMBL2171020 0.85 IGF1R (0.55) PTPN1ACP1MEN1KMT2APOLB
SCHEMBL1614993 0.84 SLC2A1 (0.64) PTPN1ACP1MEN1KMT2AMAPT
SCHEMBL1614991 0.84 SLC2A1 (0.64) PTPN1ACP1MEN1KMT2AMAPT
SCHEMBL1613699 0.84 SLC2A1 (0.64) PTPN1ACP1MEN1KMT2AMAPT
SCHEMBL2173804 0.83 AKR1B1 (0.60) PTPN1ACP1MEN1KMT2ACISD1

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
EP-2254576-B1 ANDROGEN RECEPTOR-ABLATIVE AGENTS UNIV OHIO STATE RES FOUND (US) 2013-08-28 EP claimed
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
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 PTPN1 2303/4885ACP1 2351/4885PDE4B 832/4885

“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.