SCHEMBL1069435

SCHEMBL1069435

C=CCO[C@H]1CCN(C(=O)N[C@@H](C(=O)O)C2CCCCC2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.34
CTSS P25774 1/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CASP1 P29466 1/20 0.32
EPHX2 P34913 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CCR1 P32246 1/20 0.31
MAPT P10636 1/20 0.31
MMP1 P03956 1/20 0.30
MMP13 P45452 1/20 0.30
PDE4B Q07343 1/20 0.30

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
SCHEMBL1071581 1.00 REN (0.34) RENCTSSGAAALDH1A1CASP1
SCHEMBL12963648 1.00 REN (0.34) RENCTSSGAAALDH1A1CASP1
SCHEMBL1072256 0.99 REN (0.33) RENCTSSGAAALDH1A1CASP1
SCHEMBL1071128 0.99 REN (0.33) RENCTSSGAAALDH1A1CASP1
SCHEMBL12963557 0.94 GAA (0.35) RENCTSSGAAALDH1A1CASP1
SCHEMBL1070033 0.94 GAA (0.35) RENCTSSGAAALDH1A1CASP1
SCHEMBL8008225 0.94 GAA (0.35) RENCTSSGAAALDH1A1CASP1
SCHEMBL3311882 0.94 GAA (0.35) RENCTSSGAAALDH1A1CASP1
SCHEMBL1072452 0.93 GAA (0.33) RENCTSSGAAALDH1A1CASP1
SCHEMBL20310044 0.93 GAA (0.33) RENCTSSGAAALDH1A1CASP1

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-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 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-20110002884-A1 THERAPEUTIC COMPOUNDS RRP1B, ZC3HAV1, RNASE1 REN 558/4885CTSS 63/4885GAA 367/4885

“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.