SCHEMBL2173574

SCHEMBL2173574

CC(C1CCCCC1)N1C(=O)SC(=Cc2ccc(CO)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.47
S1PR3 Q99500 3/20 0.47
HPGD P15428 3/20 0.46
MCL1 Q07820 6/20 0.46
PTPN1 P18031 2/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
MYC P01106 1/20 0.40
MAX P61244 1/20 0.40

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
SCHEMBL2784874 1.00 S1PR1 (0.47) S1PR1S1PR3HPGDMCL1PTPN1
SCHEMBL2784557 0.88 AKR1B1 (0.47) S1PR1S1PR3HPGDMCL1RAB9A
SCHEMBL2171003 0.88 AKR1B1 (0.47) S1PR1S1PR3HPGDMCL1RAB9A
SCHEMBL2172007 0.86 MCL1 (0.44) S1PR1S1PR3HPGDMCL1PTPN1
SCHEMBL2786612 0.86 MCL1 (0.44) S1PR1S1PR3HPGDMCL1PTPN1
SCHEMBL2173479 0.85 PTPN1 (0.47) S1PR1S1PR3HPGDMCL1PTPN1
SCHEMBL2173147 0.85 MCL1 (0.57) S1PR1S1PR3HPGDMCL1PTPN1
SCHEMBL2172867 0.85 MCL1 (0.44) HPGDMCL1PTPN1POLBALDH1A1
SCHEMBL2785911 0.85 PTPN1 (0.47) S1PR1S1PR3HPGDMCL1PTPN1
SCHEMBL2784736 0.85 MCL1 (0.57) S1PR1S1PR3HPGDMCL1PTPN1

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 10 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
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 S1PR1 1608/4885S1PR3 1427/4885HPGD 183/4885

“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.