Sugi Predict

Sugi Predict / Compounds / SCHEMBL2439320

SCHEMBL2439320

SCHEMBL2439320

CCOC(=O)c1n[nH]c(=O)c2s[c]nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.49
▸ KDM4E B2RXH2 6/20 0.41
▸ PDE4D Q08499 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GAA P10253 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HPGDS O60760 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ PDE3A Q14432 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
SCHEMBL2441487 0.79 HCAR2 (0.37) KMT2AALDH1A1
SCHEMBL2439651 0.74 MAPT (0.36) KDM4EKMT2ALMNAMAPTHSD17B10
SCHEMBL7236189 0.70 ALDH1A1 (0.44) POLBKDM4ERAB9AKMT2ALMNA
SCHEMBL23909039 0.69 POLB (0.54) POLBKDM4EPDE4DRAB9AKMT2A
SCHEMBL9842107 0.68 ALDH1A1 (0.50) POLBKDM4ERAB9AKMT2ALMNA
SCHEMBL11633637 0.68 POLB (0.56) POLBKDM4EPDE4DRAB9AKMT2A
SCHEMBL3853102 0.68 POLB (0.56) POLBKDM4EPDE4DRAB9AKMT2A
SCHEMBL12172195 0.68 POLB (0.63) POLBKDM4ERAB9AKMT2AL3MBTL1
SCHEMBL16487219 0.67 POLB (0.55) POLBKDM4EPDE4DRAB9AKMT2A
SCHEMBL8632808 0.67 ALDH1A1 (0.49) KDM4ERAB9AKMT2ALMNAMAPT

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 POLB 573/4885KDM4E 502/4885PDE4D 3541/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H POLB 28/4885KDM4E 1378/4885PDE4D 2785/4885

“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.