SCHEMBL2700973

SCHEMBL2700973

CC(=O)N[C@H]1Cc2ccc(cc2)OCC=CC[C@@H](C(=O)O)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.44
TMPRSS2 O15393 7/20 0.44
HPN P05981 7/20 0.44
ST14 Q9Y5Y6 7/20 0.44
HGFAC Q04756 5/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
F10 P00742 3/20 0.40
PSMB5 P28074 1/20 0.40
CAPN2 P17655 6/20 0.37
OPRM1 P35372 1/20 0.36

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
SCHEMBL2700971 1.00 F2 (0.44) F2TMPRSS2HPNST14HGFAC
SCHEMBL2185622 0.93 HDAC3 (0.48) F2TMPRSS2HPNST14HGFAC
SCHEMBL12214847 0.93 HDAC3 (0.48) F2TMPRSS2HPNST14HGFAC
SCHEMBL12214852 0.93 HDAC3 (0.48) F2TMPRSS2HPNST14HGFAC
SCHEMBL12214895 0.90 HDAC3 (0.52) F2TMPRSS2HPNST14HGFAC
SCHEMBL2698526 0.89 TMPRSS2 (0.45) F2TMPRSS2HPNST14HGFAC
SCHEMBL2698534 0.89 TMPRSS2 (0.45) F2TMPRSS2HPNST14HGFAC
SCHEMBL14627993 0.88 TMPRSS2 (0.40) F2TMPRSS2HPNST14HGFAC
SCHEMBL2188420 0.88 HDAC3 (0.41) F2TMPRSS2HPNST14HGFAC
SCHEMBL16500096 0.86 TMPRSS2 (0.42) F2TMPRSS2HPNST14HGFAC

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
EP-2343285-B1 Peptoid compounds useful as antibiotics UNIV WOLLONGONG (AU) 2015-02-25 EP disclosed
US-20120108499-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2012-05-03 US 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-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
US-20050043509-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG 2005-02-24 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-20120108499-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 F2 2357/4885TMPRSS2 2413/4885HPN 240/4885
US-20100167995-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 F2 2357/4885TMPRSS2 2413/4885HPN 240/4885
US-20070111927-A1 Peptoid compounds VIP, FPR1, VIPR1 F2 2357/4885TMPRSS2 2413/4885HPN 240/4885
US-20050043509-A1 Peptoid compounds VIP, FPR1, VIPR1 F2 2357/4885TMPRSS2 2413/4885HPN 240/4885

“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.