SCHEMBL6723017

SCHEMBL6723017

CC(C)c1ccc(C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.49
ATM Q13315 1/20 0.44
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
CTSS P25774 6/20 0.44
CTSK P43235 5/20 0.44
ACE P12821 1/20 0.44
PSEN1 P49768 3/20 0.43
PSEN2 P49810 3/20 0.43
APH1B Q8WW43 3/20 0.43
NCSTN Q92542 3/20 0.43
APH1A Q96BI3 3/20 0.43
PSENEN Q9NZ42 3/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
APP P05067 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 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
SCHEMBL6730484 0.90 PPARA (0.54) KLK5ATMPPARGPPARAITGB3
SCHEMBL31177405 0.90 PPARA (0.54) KLK5ATMPPARGPPARAITGB3
SCHEMBL6723619 0.87 PPARA (0.52) KLK5ATMPPARGPPARAITGB3
SCHEMBL5650822 0.87 KLK5 (0.61) KLK5ATMPPARGPPARACTSS
SCHEMBL288838 0.87 KLK5 (0.61) KLK5ATMPPARGPPARACTSS
SCHEMBL3447452 0.87 KLK5 (0.61) KLK5ATMPPARGPPARACTSS
SCHEMBL743357 0.87 KLK5 (0.61) KLK5ATMPPARGPPARACTSS
SCHEMBL15775826 0.87 KLK5 (0.61) KLK5ATMPPARGPPARACTSS
SCHEMBL7356486 0.87 KLK5 (0.61) KLK5ATMPPARGPPARACTSS
SCHEMBL825622 0.87 KLK5 (0.61) KLK5ATMPPARGPPARACTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673772-B2 INHIBITING THE ENZYMATIC ACTIVITY OF HIV PROTEASE SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2004-01-06 US disclosed
US-20020049165-A1 Novel dipeptide compounds and their use as medicines DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2002-04-25 US disclosed
EP-1157997-A1 NOVEL DIPEPTIDE COMPOUND AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2001-11-28 EP 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 (1 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-20020049165-A1 Novel dipeptide compounds and their use as medicines DNPEP, PEPD, ANPEP KLK5 3458/4885ATM 4538/4885PPARG 4190/4885

“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.