SCHEMBL3222730

SCHEMBL3222730

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LONP1 P36776 8/20 0.55
ABCG2 Q9UNQ0 1/20 0.54
CTSB P07858 5/20 0.53
CTSS P25774 3/20 0.53
ELANE P08246 2/20 0.53
CTSL P07711 2/20 0.53
CTSV O60911 1/20 0.53
PLG P00747 1/20 0.53
CMA1 P23946 1/20 0.53
CTSK P43235 1/20 0.53
CELA1 Q9UNI1 1/20 0.53
PSMB11 A5LHX3 2/20 0.45
PSMA7 O14818 2/20 0.45
PSMB1 P20618 2/20 0.45
PSMA1 P25786 2/20 0.45
PSMA2 P25787 2/20 0.45
PSMA3 P25788 2/20 0.45
PSMA4 P25789 2/20 0.45
PSMB8 P28062 2/20 0.45
PSMB9 P28065 2/20 0.45

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
SCHEMBL3222713 1.00 LONP1 (0.55) LONP1ABCG2CTSBCTSSELANE
SCHEMBL3222744 1.00 LONP1 (0.55) LONP1ABCG2CTSBCTSSELANE
SCHEMBL3217980 0.93 ABCG2 (0.48) LONP1ABCG2CTSBCTSSELANE
SCHEMBL3217992 0.93 ABCG2 (0.48) LONP1ABCG2CTSBCTSSELANE
SCHEMBL3218000 0.93 ABCG2 (0.48) LONP1ABCG2CTSBCTSSELANE
SCHEMBL3213559 0.90 ABCG2 (0.46) LONP1ABCG2CTSBCTSSELANE
SCHEMBL3213523 0.90 ABCG2 (0.46) LONP1ABCG2CTSBCTSSELANE
SCHEMBL3213517 0.90 ABCG2 (0.46) LONP1ABCG2CTSBCTSSELANE
SCHEMBL3210500 0.89 LONP1 (0.51) LONP1ABCG2CTSBCTSSELANE
SCHEMBL3210516 0.89 LONP1 (0.51) LONP1ABCG2CTSBCTSSELANE

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 375/4885ABCG2 515/4885CTSB 38/4885
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF SERPINB1, PEPD, PREP LONP1 375/4885ABCG2 515/4885CTSB 38/4885

“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.