SCHEMBL2175040

SCHEMBL2175040

CC(C)(C#N)CCCCN1C(=O)SC(=Cc2ccc(O)c(C(F)(F)F)c2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.63
S1PR1 P21453 3/20 0.43
BAG3 O95817 1/20 0.43
S1PR3 Q99500 2/20 0.42
AKR1B1 P15121 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MYC P01106 1/20 0.41
PPARG P37231 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL12406521 1.00 SLC2A1 (0.63) SLC2A1S1PR1BAG3S1PR3AKR1B1
SCHEMBL2175035 1.00 SLC2A1 (0.63) SLC2A1S1PR1BAG3S1PR3AKR1B1
SCHEMBL13754236 0.89 SLC2A1 (0.66) SLC2A1S1PR1BAG3S1PR3AKR1B1
SCHEMBL2172881 0.87 HSD17B3 (0.52) SLC2A1S1PR1BAG3S1PR3MAOA
SCHEMBL2172877 0.87 HSD17B3 (0.52) SLC2A1S1PR1BAG3S1PR3MAOA
SCHEMBL12406495 0.86 SLC2A1 (0.66) SLC2A1S1PR1BAG3S1PR3AKR1B1
SCHEMBL2171826 0.86 SLC2A1 (0.66) SLC2A1S1PR1BAG3S1PR3AKR1B1
SCHEMBL2171834 0.86 SLC2A1 (0.66) SLC2A1S1PR1BAG3S1PR3AKR1B1
SCHEMBL2173255 0.86 SLC2A1 (0.71) SLC2A1S1PR1BAG3S1PR3AKR1B1
SCHEMBL12406492 0.86 SLC2A1 (0.71) SLC2A1S1PR1BAG3S1PR3AKR1B1

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 SLC2A1 2158/4885S1PR1 1608/4885BAG3 2862/4885

“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.