SCHEMBL1866530

SCHEMBL1866530

COC(=O)c1cccc(C(=O)NC(CC2CCCCC2)CN(C)C(=O)OCC[Si](C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.39
CTSS P25774 7/20 0.39
CTSK P43235 4/20 0.39
HTT P42858 1/20 0.38
CASR P41180 1/20 0.37
CTSB P07858 1/20 0.37
GPR132 Q9UNW8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
PPM1D O15297 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
F10 P00742 2/20 0.35
PRSS1 P07477 2/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1866531 1.00 CTSL (0.39) CTSLCTSSCTSKHTTCASR
SCHEMBL1861544 0.92 CTSL (0.39) CTSLCTSSCTSKHTTCTSB
SCHEMBL1861541 0.92 CTSL (0.39) CTSLCTSSCTSKHTTCTSB
SCHEMBL1860160 0.91 CTSL (0.37) CTSLCTSSCTSKHTTCTSB
SCHEMBL3590304 0.91 CTSL (0.37) CTSLCTSSCTSKHTTCTSB
SCHEMBL2995977 0.90 MEN1 (0.48) CTSLCTSSCTSKHTTCTSB
SCHEMBL2995972 0.90 MEN1 (0.48) CTSLCTSSCTSKHTTCTSB
SCHEMBL1860676 0.89 REN (0.36) CTSLCTSSCTSKHTTCTSB
SCHEMBL1860674 0.89 REN (0.36) CTSLCTSSCTSKHTTCTSB
SCHEMBL3343509 0.88 CTSS (0.36) CTSLCTSSCTSKHTTCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 US disclosed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE CTSL 82/4885CTSS 138/4885CTSK 31/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE CTSL 82/4885CTSS 138/4885CTSK 31/4885

“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.