SCHEMBL2240306

SCHEMBL2240306

CC(C)(C)C(CCc1ccc(CO)cc1)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.44
CTSG P08311 3/20 0.44
CTRB1 P17538 3/20 0.44
CMA1 P23946 3/20 0.44
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MMP2 P08253 4/20 0.41
MMP3 P08254 4/20 0.41
ADAMTS4 O75173 1/20 0.40
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.39
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL11908812 0.86 KMT2A (0.49) PRSS1CTSGCTRB1CMA1MMP2
SCHEMBL1935307 0.85 PPARG (0.42) CTRB1PPARGPPARAADAMTS4EPHX2
SCHEMBL2237120 0.83 MMP2 (0.50) PRSS1CTSGCTRB1CMA1MMP2
SCHEMBL2881400 0.79 ACACB (0.46) PRSS1CTSGCTRB1CMA1PPARA
SCHEMBL17260028 0.79 HDAC8 (0.46)
SCHEMBL185475 0.75 PPARG (0.42) PPARGPPARAADAMTS4SMN1; SMN2HTT
SCHEMBL1132971 0.75 MEN1 (0.31) KMT2AMEN1
SCHEMBL1939865 0.75 MAOA (0.46) PRSS1CTSGCTRB1CMA1MMP2
SCHEMBL1936399 0.74 NISCH (0.53) PPARG
SCHEMBL4070665 0.72 MMP1 (0.34) PRSS1CTSGCTRB1CMA1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 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-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 PRSS1 257/4885CTSG 1851/4885CTRB1 49/4885

“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.