SCHEMBL2171019

SCHEMBL2171019

COc1cc(/C=C2\SC(=O)N(CC3(C)CCCCC3)C2=O)cc(I)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.55
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MCL1 Q07820 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
DNMT1 P26358 1/20 0.46
MAPK1 P28482 1/20 0.46
DUSP3 P51452 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 4/20 0.45
PSMD14 O00487 1/20 0.45
AURKA O14965 1/20 0.44
MTOR P42345 1/20 0.44
PKM P14618 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43

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
SCHEMBL2171020 1.00 IGF1R (0.55) IGF1RMEN1KMT2AMAPTALDH1A1
SCHEMBL2173446 0.85 PTPN1 (0.59) MEN1KMT2AMAPTALDH1A1MCL1
SCHEMBL2173442 0.85 PTPN1 (0.59) MEN1KMT2AMAPTALDH1A1MCL1
SCHEMBL2174270 0.82 AURKA (0.53) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2174274 0.82 AURKA (0.53) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2172737 0.81 AURKA (0.48) IGF1RMEN1KMT2AALDH1A1KDM4E
SCHEMBL2172739 0.81 AURKA (0.48) IGF1RMEN1KMT2AALDH1A1KDM4E
SCHEMBL12712444 0.80 AURKA (0.51) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2173806 0.79 AKR1B1 (0.60) MEN1KMT2AAURKAMTORCISD1
SCHEMBL2173804 0.79 AKR1B1 (0.60) MEN1KMT2AAURKAMTORCISD1

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 12 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
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-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US 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
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 US 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 IGF1R 537/4885MEN1 2122/4885KMT2A 1669/4885

“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.