SCHEMBL3210394

SCHEMBL3210394

O=C(NC(C(=O)NC(CC1CCCCC1)C(=O)O)C1CCCCC1)c1cnccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LONP1 P36776 3/20 0.56
PSMB11 A5LHX3 2/20 0.56
PSMA7 O14818 2/20 0.56
PSMB1 P20618 2/20 0.56
PSMA1 P25786 2/20 0.56
PSMA2 P25787 2/20 0.56
PSMA3 P25788 2/20 0.56
PSMA4 P25789 2/20 0.56
PSMB8 P28062 2/20 0.56
PSMB9 P28065 2/20 0.56
PSMA5 P28066 2/20 0.56
PSMB4 P28070 2/20 0.56
PSMB6 P28072 2/20 0.56
PSMB5 P28074 2/20 0.56
PSMB10 P40306 2/20 0.56
PSMB3 P49720 2/20 0.56
PSMB2 P49721 2/20 0.56
PSMA6 P60900 2/20 0.56
PSMA8 Q8TAA3 2/20 0.56
PSMB7 Q99436 2/20 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
SCHEMBL3210370 1.00 LONP1 (0.56) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL3220221 0.89 LONP1 (0.56) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL3220211 0.89 LONP1 (0.56) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL3220250 0.89 LONP1 (0.56) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL3226672 0.88 LONP1 (0.52) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL3226685 0.88 LONP1 (0.52) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL3226661 0.88 LONP1 (0.52) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL3217176 0.87 LONP1 (0.55) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL3222905 0.87 LONP1 (0.60) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL3217154 0.87 LONP1 (0.55) LONP1PSMB11PSMA7PSMB1PSMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303547-A1 HCV Protease Inhibitors and Uses Thereof ABBVIE INC (US) 2013-11-14 US disclosed
US-8497275-B2 HCV protease inhibitors and uses thereof ABBVIE INC. (US) 2013-07-30 US disclosed
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-02-04 US disclosed
WO-2008074035-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-19 WO 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 (2 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-20130303547-A1 HCV Protease Inhibitors and Uses Thereof SERPINB1, PEPD, PREP LONP1 375/4885PSMB11 277/4885PSMA7 240/4885
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF SERPINB1, PEPD, PREP LONP1 375/4885PSMB11 277/4885PSMA7 240/4885

“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.