SCHEMBL13389110

SCHEMBL13389110

CCC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
PREP P48147 4/20 0.64
NPSR1 Q6W5P4 1/20 0.63
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
CTRB1 P17538 1/20 0.58
GFER P55789 1/20 0.58
PRCP P42785 1/20 0.58
ALDH1A1 P00352 1/20 0.57
KMT2A Q03164 2/20 0.56
KLK7 P49862 1/20 0.56
KLK5 Q9Y337 1/20 0.56
TP53 P04637 1/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL14665154 0.96 TSHR (0.61) TSHRL3MBTL1PREPNPSR1KDM4E
SCHEMBL8415456 0.96 TSHR (0.61) TSHRL3MBTL1PREPNPSR1KDM4E
SCHEMBL13374867 0.88 PREP (0.61) TSHRL3MBTL1PREPNPSR1KDM4E
SCHEMBL3560163 0.88 PREP (0.61) TSHRL3MBTL1PREPNPSR1KDM4E
SCHEMBL29302756 0.87 PREP (0.61) TSHRL3MBTL1PREPNPSR1KDM4E
SCHEMBL9555086 0.87 PREP (0.61) TSHRL3MBTL1PREPNPSR1KDM4E
SCHEMBL13191519 0.87 PREP (0.61) TSHRL3MBTL1PREPNPSR1KDM4E
SCHEMBL9555094 0.87 PREP (0.61) TSHRL3MBTL1PREPNPSR1KDM4E
SCHEMBL47051 0.87 PREP (0.61) TSHRL3MBTL1PREPNPSR1KDM4E
SCHEMBL14948306 0.87 TSHR (0.62) TSHRL3MBTL1PREPNPSR1KDM4E

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-8383094-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-20100080772-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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-20100080772-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TSHR 4635/4885L3MBTL1 3763/4885PREP 2563/4885

“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.