SCHEMBL2440580

SCHEMBL2440580

CCOC(=O)Cc1nnnn1C[C]=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 3/20 0.41
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NR1H4 Q96RI1 1/20 0.35
ALDH1A1 P00352 5/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL18605497 0.87 MAPK1 (0.50) MAPK1HSD17B10PKMATMCA12
SCHEMBL18646759 0.84 MAPK1 (0.57) MAPK1HSD17B10PKMATMCA12
SCHEMBL18839760 0.81 MAPK1 (0.56) MAPK1HSD17B10PKMATMCA12
SCHEMBL2440411 0.78 KDM4C (0.38) MAPK1ALDH1A1HPGD
SCHEMBL7507078 0.77 MAPK1 (0.49) MAPK1HSD17B10PKMATMNR1H4
SCHEMBL2441906 0.77 MAPK1 (0.63) MAPK1HSD17B10PKMATMALDH1A1
SCHEMBL3452952 0.76 MAPK1 (0.50) MAPK1HSD17B10PKMATMCA12
SCHEMBL10703847 0.75 MAPK1 (0.49) MAPK1HSD17B10PKMATMCA12
SCHEMBL18623454 0.74 LMNA (0.46) MAPK1HSD17B10PKMATMNR1H4
SCHEMBL8004671 0.74 MAPK1 (0.47) MAPK1HSD17B10PKMATMCA12

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 MAPK1 1641/4885HSD17B10 1395/4885PKM 3162/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H MAPK1 1775/4885HSD17B10 1248/4885PKM 3967/4885

“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.