SCHEMBL1260137

SCHEMBL1260137

C=CCCn1c(O[C@H]2CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)O)C2)cc2ccccc2c1=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.32
PIK3CD O00329 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLR1A O95602 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
SCHEMBL1072517 0.79 ALDH1A1 (0.41) KDM4E
SCHEMBL8022909 0.78 P2RX3 (0.41) CNR2
SCHEMBL1260136 0.76 ALDH1A1 (0.32) KDM4E
SCHEMBL2434897 0.73 USP30 (0.38)
SCHEMBL3305629 0.73 ADRB2 (0.35) KDM4E
SCHEMBL2439748 0.73 USP30 (0.47)
SCHEMBL1260528 0.72 USP30 (0.33) PIK3CD
SCHEMBL14999963 0.72 AGTR2 (0.33) CNR2KDM4EHSD17B10
SCHEMBL16107194 0.72 PIK3CD (0.32) PIK3CDKDM4E
SCHEMBL3305623 0.72 NCEH1 (0.40) KDM4E

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-20110046161-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2011-02-24 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-20110046161-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC CNR2 4458/4885PIK3CD 3828/4885KDM4E 2747/4885

“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.