SCHEMBL3202113

SCHEMBL3202113

CC(C)C[C@H](N)OBO.O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 12/20 0.53
CMKLR2 P46091 1/20 0.53
CMKLR1 Q99788 1/20 0.53
LMNA P02545 1/20 0.49
ECE1 P42892 1/20 0.49
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
CTRC Q99895 1/20 0.45
PSMB5 P28074 2/20 0.45

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
Leucine SCHEMBL1406326 0.86 GPR132 (0.56) GPR132CMKLR2CMKLR1LMNAECE1
SCHEMBL2344285 0.86 PSMB5 (0.60) GPR132PSMB5
Leucine SCHEMBL3816604 0.83 GPR132 (0.53) GPR132CMKLR2CMKLR1LMNAECE1
SCHEMBL234157 0.83 PSMB5 (0.54) GPR132CMKLR2CMKLR1LMNAECE1
SCHEMBL2229201 0.82 GPR132 (0.69) GPR132CMKLR2CMKLR1LMNAECE1
SCHEMBL30037998 0.82 GPR132 (0.69) GPR132CMKLR2CMKLR1LMNAECE1
SCHEMBL3497405 0.82 GPR132 (0.69) GPR132CMKLR2CMKLR1LMNAECE1
SCHEMBL2228194 0.78 LMNA (0.57) GPR132LMNAECE1
SCHEMBL9828179 0.78 LMNA (0.57) GPR132LMNAECE1
SCHEMBL2336223 0.77 ACE (0.58)

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-20100036159-A1 Peptide boronic acid inhibitors PAION DEUTSCHLAND GMBH (DE) 2010-02-11 US disclosed
US-20060084592-A1 Peptide boronic acid inhibitors TRIGEN LIMITED 2006-04-20 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 (2 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-20060084592-A1 Peptide boronic acid inhibitors BMX, YBX1, HAX1 GPR132 4454/4885CMKLR2 1219/4885CMKLR1 1033/4885
US-20100036159-A1 Peptide boronic acid inhibitors BMX, YBX1, HAX1 GPR132 4437/4885CMKLR2 1170/4885CMKLR1 979/4885

“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.