SCHEMBL2440938

SCHEMBL2440938

Cc1n[c]sc1C(=O)NCCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.37
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.35
EGLN1 Q9GZT9 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGAV P06756 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
ITGA2B P08514 1/20 0.34
ECE1 P42892 1/20 0.33
FABP4 P15090 1/20 0.33
GCG P01275 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL971975 0.85 MMP13 (0.39) L3MBTL1KMT2AKDM4ENPC1HPGD
SCHEMBL2443061 0.83 EGLN1 (0.44) EGLN2L3MBTL1KMT2AEGLN1KDM4E
SCHEMBL2440626 0.70
SCHEMBL969507 0.69
SCHEMBL2447674 0.68 MAPT (0.41) KMT2ANPC1HPGDNPSR1TSHR
SCHEMBL2439074 0.67 KDM4E (0.32) KDM4EHPGDTSHR
SCHEMBL2441169 0.67 NPSR1 (0.38) L3MBTL1KDM4EITGB3NPC1ITGA2B
SCHEMBL6313309 0.67 LMNA (0.38) EGLN2LMNAL3MBTL1KMT2AEGLN1
SCHEMBL2440144 0.66 SMN1; SMN2 (0.33) KDM4ENPC1HPGDNPSR1TSHR
SCHEMBL971952 0.66 ALDH1A1 (0.44) LMNAKMT2ANPC1HPGDTSHR

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 5 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
CN-101472902-A Novel piperazine compounds and their use as HCV polymerase inhibitors JAPAN TOBACCO INC (JP) 2009-07-01 CN 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 EGLN2 3129/4885LMNA 2685/4885L3MBTL1 3914/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H EGLN2 2829/4885LMNA 3947/4885L3MBTL1 4171/4885

“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.