SCHEMBL10174274

SCHEMBL10174274

CC1(C)CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BUB1 O43683 1/20 0.34
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
RORC P51449 2/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
CTSK P43235 1/20 0.31
PREP P48147 1/20 0.30
EPHX2 P34913 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
SCHEMBL28371753 1.00 USP2 (0.34) USP2SMN1; SMN2BUB1NR1H2NR1H3
SCHEMBL31751833 0.87 USP2 (0.34) USP2SMN1; SMN2BUB1NR1H2NR1H3
SCHEMBL6188259 0.86 USP2 (0.38) USP2SMN1; SMN2BUB1NR1H2NR1H3
SCHEMBL16594444 0.86 USP2 (0.38) USP2SMN1; SMN2BUB1NR1H2NR1H3
SCHEMBL15023539 0.85 NR1H2 (0.34) USP2SMN1; SMN2BUB1NR1H2NR1H3
SCHEMBL25330533 0.84 GRIN2B (0.33) USP2SMN1; SMN2BUB1NR1H2NR1H3
SCHEMBL502555 0.84 GRIN2B (0.33) USP2SMN1; SMN2BUB1NR1H2NR1H3
SCHEMBL705951 0.84 GRIN2B (0.33) USP2SMN1; SMN2BUB1NR1H2NR1H3
SCHEMBL3005261 0.84 BUB1 (0.33) USP2SMN1; SMN2BUB1NR1H2CHRM2
SCHEMBL25330541 0.84 GRIN2B (0.33) USP2SMN1; SMN2BUB1NR1H2NR1H3

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-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 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-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP USP2 499/4885SMN1; SMN2 3286/4885BUB1 2164/4885

“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.