SCHEMBL3048816

SCHEMBL3048816

CC(C)(C)OC(=O)N1CCCC1[C@@H](O)CCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.50
KLK7 P49862 1/20 0.47
EPHX2 P34913 2/20 0.43
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
KLK5 Q9Y337 1/20 0.42

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
SCHEMBL3048813 1.00 FKBP1A (0.50) FKBP1AKLK7EPHX2MMP1MMP3
SCHEMBL8998403 0.89 KLK7 (0.49) FKBP1AKLK7KLK5
SCHEMBL8998386 0.89 KLK7 (0.49) FKBP1AKLK7KLK5
SCHEMBL8998390 0.89 KLK7 (0.49) FKBP1AKLK7KLK5
SCHEMBL25339275 0.86 KLK7 (0.50) KLK7KLK5
SCHEMBL30057132 0.86 KLK7 (0.50) KLK7KLK5
SCHEMBL28387244 0.86 KLK7 (0.50) KLK7KLK5
SCHEMBL6535959 0.86 KLK7 (0.50) KLK7KLK5
SCHEMBL25339274 0.86 KLK7 (0.50) KLK7KLK5
SCHEMBL5833831 0.85 KLK7 (0.47) FKBP1AKLK7KLK5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261914-A1 IAP BINDING COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-10-14 US disclosed
US-7718600-B2 IAP binding compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-05-18 US disclosed
EP-1578777-B1 IAP BINDING COMPOUNDS UNIV PRINCETON (US) 2008-11-26 EP disclosed
US-20070032437-A1 that bind cellular inhibitor of apoptosis proteins; drug design and development for diagnosis, prevention and treatment of cell proliferative disease; anticarcinogenic agents THE TRUSTEES OF PRINCETON UNIVERSITY 2007-02-08 US disclosed
EP-1578777-A4 IAP BINDING COMPOUNDS UNIV PRINCETON (US) 2006-08-16 EP disclosed
EP-1578777-A2 IAP BINDING COMPOUNDS The Trustees of Princeton University (US) 2005-09-28 EP disclosed
WO-2004007529-A2 IAP BINDING COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2004-01-22 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 (2 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-20070032437-A1 that bind cellular inhibitor of apoptosis proteins; drug design and development for diagnosis, prevention and treatment of cell proliferative disease; anticarcinogenic agents BIRC3, API5, BID FKBP1A 1553/4885KLK7 4561/4885EPHX2 4706/4885
US-20100261914-A1 IAP BINDING COMPOUNDS BIRC3, BIRC5, BIRC2 FKBP1A 1454/4885KLK7 4439/4885EPHX2 4365/4885

“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.