SCHEMBL2442865

SCHEMBL2442865

CCOC(=O)Cc1nnn(C[C]=O)n1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.71
PKM P14618 1/20 0.71
ATM Q13315 1/20 0.71
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL18605731 0.87 HSD17B10 (0.69) HSD17B10PKMATMCA12CA1
SCHEMBL14145932 0.84 PKM (0.79) HSD17B10PKMATMCA12CA1
SCHEMBL18623451 0.82 PKM (0.75) HSD17B10PKMATMCA12CA1
SCHEMBL2443064 0.78 PKM (0.41) HSD17B10PKMATMHPGD
SCHEMBL7507722 0.77 PKM (0.68) HSD17B10PKMATMCA12CA1
SCHEMBL2441708 0.77 HSD17B10 (0.71) HSD17B10PKMATMALDH1A1KDM4E
SCHEMBL3452705 0.76 HSD17B10 (0.67) HSD17B10PKMATMCA12CA1
SCHEMBL5393949 0.74 PKM (0.63) HSD17B10PKMATMCA12CA1
SCHEMBL18623453 0.74 PKM (0.63) HSD17B10PKMATMCA12CA1
SCHEMBL18839891 0.73 PKM (0.81) HSD17B10PKMATMCA12CA1

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-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 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 (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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP HSD17B10 1395/4885PKM 3162/4885ATM 4868/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H HSD17B10 1248/4885PKM 3967/4885ATM 4829/4885

“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.