SCHEMBL2173147

SCHEMBL2173147

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.57
BCL2 P10415 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
BCL2L1 Q07817 2/20 0.49
BAK1 Q16611 1/20 0.49
BCL2L2 Q92843 2/20 0.47
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
HSD17B3 P37058 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL2784736 1.00 MCL1 (0.57) MCL1BCL2MEN1KMT2ABCL2L1
SCHEMBL2786612 0.89 MCL1 (0.44) MCL1S1PR1S1PR3ALDH1A1HPGD
SCHEMBL2784557 0.89 AKR1B1 (0.47) MCL1S1PR1S1PR3ALDH1A1HPGD
SCHEMBL2172007 0.89 MCL1 (0.44) MCL1S1PR1S1PR3ALDH1A1HPGD
SCHEMBL2171003 0.89 AKR1B1 (0.47) MCL1S1PR1S1PR3ALDH1A1HPGD
SCHEMBL2172867 0.88 MCL1 (0.44) MCL1MEN1KMT2AALDH1A1HPGD
SCHEMBL1670096 0.88 MCL1 (0.46) MCL1BCL2MEN1KMT2ABCL2L1
SCHEMBL2785911 0.88 PTPN1 (0.47) MCL1MEN1KMT2AS1PR1S1PR3
SCHEMBL2173479 0.88 PTPN1 (0.47) MCL1MEN1KMT2AS1PR1S1PR3
SCHEMBL2171191 0.86 FAAH (0.53) MCL1MEN1KMT2AS1PR1S1PR3

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
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
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 MCL1 4364/4885BCL2 2170/4885MEN1 2122/4885

“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.