SCHEMBL4895955

SCHEMBL4895955

CC(C)(C)OC(=O)N[C@H](CO)CCCCN(Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.48
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
ATM Q13315 1/20 0.48
CTSK P43235 2/20 0.46
AKT1 P31749 3/20 0.45
FOLH1 Q04609 1/20 0.43
SYK P43405 1/20 0.43

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
SCHEMBL1022839 0.97 CTSS (0.49) CTSSCTSLCTSBATMCTSK
SCHEMBL1022989 0.92 CTSS (0.54) CTSSCTSLCTSBATMCTSK
SCHEMBL1021128 0.85 SIRT5 (0.45) CTSSCTSLCTSBATMCTSK
SCHEMBL13198524 0.85 ATM (0.55) CTSSCTSLCTSBATMCTSK
SCHEMBL15238968 0.84 CTSK (0.53) CTSSCTSLCTSBCTSKFOLH1
SCHEMBL15238846 0.83 CTSK (0.57) CTSLCTSBCTSK
SCHEMBL1022566 0.82 CTSK (0.48) CTSSCTSLCTSBCTSKAKT1
SCHEMBL28820385 0.82 L3MBTL1 (0.42) CTSSCTSLCTSBATMCTSK
SCHEMBL15238498 0.82 L3MBTL1 (0.42) CTSSCTSLCTSBATMCTSK
SCHEMBL15238875 0.81 ATM (0.51) CTSSCTSLCTSBATMCTSK

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-10071980-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2018-09-11 US disclosed
US-10035784-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2018-07-31 US disclosed
US-9512109-B2 Agonists that enhance binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2016-12-06 US disclosed
US-20150368234-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE 2015-12-24 US disclosed
US-20150291571-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE 2015-10-15 US disclosed
US-20130236434-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE (US) 2013-09-12 US disclosed
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 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 (6 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-10035784-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 CTSS 3615/4885CTSL 1390/4885CTSB 2938/4885
US-20130236434-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 CTSS 3597/4885CTSL 1433/4885CTSB 2879/4885
US-20150291571-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 CTSS 3615/4885CTSL 1390/4885CTSB 2938/4885
US-20150368234-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 CTSS 3615/4885CTSL 1390/4885CTSB 2938/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE CTSS 2/4885CTSL 12/4885CTSB 5/4885
US-10071980-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 CTSS 3615/4885CTSL 1390/4885CTSB 2938/4885

“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.