SCHEMBL3210085

SCHEMBL3210085

O=C(NC(C(=O)N[C@H](C(=O)O)C1CCCCC1)C1CCCCC1)c1cnccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
LONP1 P36776 3/20 0.48
PSMB11 A5LHX3 2/20 0.48
PSMA7 O14818 2/20 0.48
PSMB1 P20618 2/20 0.48
PSMA1 P25786 2/20 0.48
PSMA2 P25787 2/20 0.48
PSMA3 P25788 2/20 0.48
PSMA4 P25789 2/20 0.48
PSMB8 P28062 2/20 0.48
PSMB9 P28065 2/20 0.48
PSMA5 P28066 2/20 0.48
PSMB4 P28070 2/20 0.48
PSMB6 P28072 2/20 0.48
PSMB5 P28074 2/20 0.48
PSMB10 P40306 2/20 0.48
PSMB3 P49720 2/20 0.48
PSMB2 P49721 2/20 0.48
PSMA6 P60900 2/20 0.48
PSMA8 Q8TAA3 2/20 0.48

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
SCHEMBL3210060 1.00 MAPT (0.50) MAPTLONP1PSMB11PSMA7PSMB1
SCHEMBL7857535 0.95 MAPT (0.54) MAPTLONP1PSMB11PSMA7PSMB1
SCHEMBL329840 0.95 MAPT (0.54) MAPTLONP1PSMB11PSMA7PSMB1
SCHEMBL3221108 0.88 LONP1 (0.46) MAPTLONP1PSMB11PSMA7PSMB1
SCHEMBL3221086 0.88 LONP1 (0.46) MAPTLONP1PSMB11PSMA7PSMB1
SCHEMBL464244 0.87 ABCG2 (0.54) MAPTLONP1PSMB11PSMA7PSMB1
SCHEMBL3226661 0.87 LONP1 (0.52) MAPTLONP1PSMB11PSMA7PSMB1
SCHEMBL3226685 0.87 LONP1 (0.52) MAPTLONP1PSMB11PSMA7PSMB1
SCHEMBL1013600 0.87 ABCG2 (0.54) MAPTLONP1PSMB11PSMA7PSMB1
SCHEMBL1013602 0.87 ABCG2 (0.54) MAPTLONP1PSMB11PSMA7PSMB1

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 MAPT 3158/4885LONP1 375/4885PSMB11 277/4885
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF SERPINB1, PEPD, PREP MAPT 3158/4885LONP1 375/4885PSMB11 277/4885

“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.