SCHEMBL7166115

SCHEMBL7166115

C[C@@](S)(C(=O)ON1C(=O)CCC1=O)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 2/20 0.36
MGLL Q99685 1/20 0.36
KCNN4 O15554 1/20 0.36
ALOX12 P18054 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM3 P20309 2/20 0.33
ATM Q13315 1/20 0.33
RIPK1 Q13546 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL8102600 0.79 PARL (0.42) PARLMGLLKCNN4ALOX12KMT2A
SCHEMBL31099227 0.76 KCNN4 (0.38) PARLMGLLKCNN4ALOX12MAPT
SCHEMBL3686239 0.76 PARL (0.40) PARLMGLLKCNN4ALOX12MAPT
SCHEMBL7387232 0.75 GAA (0.44) PARLMGLLKCNN4ALOX12KMT2A
SCHEMBL23619542 0.74 MGLL (0.34) MGLLMAPTKMT2AATM
SCHEMBL356558 0.74 CHRM3 (0.36) PARLMGLLKCNN4MAPTKMT2A
SCHEMBL21447572 0.72 ME2 (0.41) PARLMGLLALOX12MAPTKMT2A
SCHEMBL12993062 0.71 ESR1 (0.41) PARLMGLLMAPTKMT2AATM
SCHEMBL260599 0.71 MGLL (0.34) PARLMGLLKMT2AATM
SCHEMBL2570463 0.70 MGLL (0.33) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6566491-B2 Used as integrin inhibitors, in particular for the prevention and treatment of circulatory diseases, thrombosis, heart infarct, coronary heart diseases, arteriosclerosis, angiogenic diseases and in tumor therapy. MERCK PATENT GESELLSCHAFT (DE) 2003-05-20 US disclosed
US-20020032306-A1 CYCLOPEPTIDE DERIVATIVES BIOMET DEUTSCHLAND GMBH (DE) 2002-03-14 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 (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-20020032306-A1 CYCLOPEPTIDE DERIVATIVES CORO1C, CYCS, CORO1A PARL 1081/4885MGLL 4862/4885KCNN4 2437/4885

“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.