SCHEMBL2442295

SCHEMBL2442295

COC(=O)CCC(=O)NC[C]=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
RECQL P46063 1/20 0.47
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 5/20 0.41
HTT P42858 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
APOBEC3G Q9HC16 1/20 0.39
MEN1 O00255 2/20 0.39
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CYP1A2 P05177 1/20 0.38
ATM Q13315 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL7746798 0.82 MGAM (0.44) TSHRRECQLLMNAKDM4EALDH1A1
SCHEMBL7750257 0.82 GAA (0.50) TSHRLMNAALDH1A1HTTKMT2A
SCHEMBL23987762 0.81 TSHR (0.54) TSHRRECQLLMNAKDM4EALDH1A1
SCHEMBL29648539 0.77 RECQL (0.75) TSHRRECQLLMNAKDM4EALDH1A1
SCHEMBL13286462 0.77 TSHR (0.62) TSHRRECQLLMNAKDM4EALDH1A1
SCHEMBL19448715 0.77 TSHR (0.62) TSHRRECQLLMNAKDM4EALDH1A1
SCHEMBL2442181 0.77 PHF8 (0.48) LMNAKDM4EALDH1A1HTT
SCHEMBL9195890 0.76 TSHR (0.59) TSHRRECQLLMNAKDM4EALDH1A1
Dimethyl Succinate SCHEMBL28054469 0.75 TSHR (1.00) TSHRRECQLLMNAKDM4EALDH1A1
Dimethyl Succinate SCHEMBL10213 0.75 TSHR (1.00) TSHRRECQLLMNAKDM4EALDH1A1

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 TSHR 3775/4885RECQL 4292/4885LMNA 2685/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H TSHR 4735/4885RECQL 3811/4885LMNA 3947/4885

“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.