SCHEMBL12778955

SCHEMBL12778955

COc1ccc(NC(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)c2cc(NC(=O)[C@H](CCCCNC(=O)OCc3ccccc3)NC(=O)c3cc(NC(=O)[C@H](CCCCNC(=O)OCc4ccccc4)NC(=O)OC(C)(C)C)ccc3OC)ccc2OC)cc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.51
▸ KLK5 Q9Y337 2/20 0.51
▸ SIRT2 Q8IXJ6 11/20 0.49
▸ SIRT1 Q96EB6 10/20 0.49
▸ SIRT5 Q9NXA8 4/20 0.49
▸ MAPT P10636 1/20 0.49
▸ SIRT3 Q9NTG7 4/20 0.48

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
SCHEMBL12518535 1.00 KLK7 (0.51) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL12516829 1.00 KLK7 (0.51) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL21372036 0.99 KLK7 (0.51) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL15317949 0.97 KLK7 (0.48) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL12778935 0.97 KLK7 (0.48) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL12778910 0.97 KLK7 (0.48) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL12778926 0.97 KLK7 (0.48) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL12779163 0.97 KLK7 (0.54) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL12780067 0.96 KLK7 (0.51) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL12518233 0.94 KLK7 (0.52) KLK7KLK5SIRT2SIRT1SIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150197485-A1 Processes For Preparing A Polymeric Compound CELLCEUTIX CORP (US) 2015-07-16 — — US disclosed
US-8946475-B2 Processes for preparing a polymeric compound CELLCEUTIX CORPORATION (US) 2015-02-03 — — US disclosed
US-20130274502-A1 Processes For Preparing A Polymeric Compound POLYMEDIX, INC. (US) 2013-10-17 — — US disclosed
WO-2011050162-A1 PROCESSES FOR PREPARING A POLYMERIC COMPOUND POLYMEDIX, INC. (US) 2011-04-28 — — 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-20150197485-A1 Processes For Preparing A Polymeric Compound F12, ALG1, ABCB11 KLK7 764/4885KLK5 359/4885SIRT2 3254/4885
US-20130274502-A1 Processes For Preparing A Polymeric Compound F12, ALG1, ABCB11 KLK7 764/4885KLK5 359/4885SIRT2 3254/4885

“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.

Send feedback