SCHEMBL2185622

SCHEMBL2185622

COC(=O)[C@@H]1C/C=C\COc2ccc(cc2)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
F2 P00734 8/20 0.44
TMPRSS2 O15393 6/20 0.44
HPN P05981 6/20 0.44
ST14 Q9Y5Y6 6/20 0.44
HGFAC Q04756 4/20 0.44
F10 P00742 3/20 0.40
PSMB5 P28074 1/20 0.38
CAPN2 P17655 5/20 0.35
PLG P00747 2/20 0.35

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
SCHEMBL12214847 1.00 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12214852 1.00 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12214895 0.96 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2700971 0.93 F2 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2700973 0.93 F2 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8258562 0.91 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14627993 0.89 TMPRSS2 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12214923 0.89 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14597656 0.89 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12214918 0.89 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524657-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2013-09-03 US disclosed
US-20110312875-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2011-12-22 US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
EP-2343285-A2 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2011-07-13 EP disclosed
US-20100167995-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2010-07-01 US disclosed
US-7612036-B2 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2009-11-03 US disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 US disclosed
US-20070111927-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2007-05-17 US disclosed
US-7160854-B2 Binaphthyl peptidomimetics for treating vancomycin resistant Staphylococcus aureas infections UNIVERSITY OF WOLLONGONG (AU) 2007-01-09 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 (4 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-20100167995-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 HDAC3 3569/4885HDAC4 2222/4885HDAC1 3007/4885
US-20080300287-A1 Peptidic Compounds VIP, NGLY1, FURIN HDAC3 3317/4885HDAC4 1957/4885HDAC1 2819/4885
US-20070111927-A1 Peptoid compounds VIP, FPR1, VIPR1 HDAC3 3569/4885HDAC4 2222/4885HDAC1 3007/4885
US-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN HDAC3 2823/4885HDAC4 1215/4885HDAC1 2423/4885

“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.