SCHEMBL6730484

SCHEMBL6730484

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Cl)cc1)[C@H](O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.54
PPARG P37231 2/20 0.54
KLK5 Q9Y337 2/20 0.50
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
CTSS P25774 6/20 0.46
CTSK P43235 5/20 0.46
ACE P12821 1/20 0.46
CTSL P07711 2/20 0.44
CTSB P07858 1/20 0.44
CACNA1B Q00975 1/20 0.44

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
SCHEMBL31177405 1.00 PPARA (0.54) PPARAPPARGKLK5GAAATM
SCHEMBL31177374 0.90 KLK5 (0.54) PPARAPPARGKLK5GAAATM
SCHEMBL6723017 0.90 KLK5 (0.49) PPARAPPARGKLK5ATMITGB3
SCHEMBL31177373 0.90 KLK5 (0.54) PPARAPPARGKLK5GAAATM
SCHEMBL31177569 0.90 KLK5 (0.54) PPARAPPARGKLK5GAAATM
SCHEMBL6723619 0.90 PPARA (0.52) PPARAPPARGKLK5ATMITGB3
SCHEMBL15775826 0.89 KLK5 (0.61) PPARAPPARGKLK5ATMCTSS
SCHEMBL5650822 0.89 KLK5 (0.61) PPARAPPARGKLK5ATMCTSS
SCHEMBL7356486 0.89 KLK5 (0.61) PPARAPPARGKLK5ATMCTSS
SCHEMBL288838 0.89 KLK5 (0.61) PPARAPPARGKLK5ATMCTSS

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 PPARA 3639/4885PPARG 4190/4885KLK5 3458/4885

“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.