SCHEMBL6043317

SCHEMBL6043317

COC(=O)[C@H](C[C@@H](C)COCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.64
CTSS P25774 4/20 0.60
PPARG P37231 2/20 0.58
KLK5 Q9Y337 4/20 0.53
KLK7 P49862 2/20 0.53
PSEN1 P49768 2/20 0.49
PSEN2 P49810 2/20 0.49
APH1B Q8WW43 2/20 0.49
NCSTN Q92542 2/20 0.49
APH1A Q96BI3 2/20 0.49
PSENEN Q9NZ42 2/20 0.49
REN P00797 1/20 0.49
CTSK P43235 4/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 1/20 0.47
RAB9A P51151 1/20 0.47
SYK P43405 1/20 0.47

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
SCHEMBL2948481 0.89 PPARA (0.74) PPARACTSSPPARGKLK5KLK7
SCHEMBL5249102 0.89 PPARA (0.74) PPARACTSSPPARGKLK5KLK7
SCHEMBL2948482 0.89 PPARA (0.74) PPARACTSSPPARGKLK5KLK7
SCHEMBL6043892 0.89 PPARA (0.61) PPARACTSSPPARGKLK5KLK7
SCHEMBL5710546 0.89 PPARA (0.61) PPARACTSSPPARGKLK5KLK7
SCHEMBL6042808 0.89 PPARA (0.61) PPARACTSSPPARGKLK5KLK7
SCHEMBL24687315 0.89 PPARA (0.64) PPARACTSSPPARGKLK5KLK7
SCHEMBL7057772 0.87 CTSS (0.64) PPARACTSSPPARGKLK5KLK7
SCHEMBL15950931 0.84 PPARA (0.61) PPARACTSSPPARGKLK5KLK7
SCHEMBL6043443 0.84 PPARA (0.57) PPARACTSSPPARGKLK5KLK7

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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 PPARA 1489/4885CTSS 779/4885PPARG 2321/4885

“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.