Sugi Predict

Sugi Predict / Compounds / SCHEMBL2442016

SCHEMBL2442016

SCHEMBL2442016

CC(C)(C)OC(=O)c1c[c]ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.37
▸ GABRG2 P18507 11/20 0.37
▸ GABRB3 P28472 11/20 0.37
▸ GABRA1 P14867 10/20 0.37
▸ GABRA2 P47869 10/20 0.37
▸ GABRA5 P31644 10/20 0.37
▸ GABRA3 P34903 9/20 0.37
▸ GABRA6 Q16445 8/20 0.37
▸ GABRA4 P48169 5/20 0.37
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ GABRE P78334 1/20 0.37
▸ GABRG1 Q8N1C3 1/20 0.37
▸ GABRG3 Q99928 1/20 0.37
▸ GABRQ Q9UN88 1/20 0.37
▸ GPR119 Q8TDV5 4/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 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
SCHEMBL127671 0.80 MAPK1 (0.42) ALDH1A1MAPT
SCHEMBL8316521 0.77 — —
SCHEMBL7085583 0.77 ADORA3 (0.31) —
SCHEMBL132238 0.76 CYP1A2 (0.47) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL129258 0.76 ALDH1A1 (0.37) ALDH1A1MAPT
SCHEMBL126495 0.73 ALDH1A1 (0.42) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL6950030 0.72 ATR (0.41) GPR119ATR
SCHEMBL2929844 0.71 KDM4E (0.52) ALDH1A1MAPT
SCHEMBL2652708 0.71 ALDH1A1 (0.55) HPGDSGABRG2GABRB3GABRA1GABRA2
SCHEMBL29444266 0.71 KDM4E (0.52) ALDH1A1MAPT

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 HPGDS 3274/4885GABRG2 1402/4885GABRB3 1314/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H HPGDS 2686/4885GABRG2 3295/4885GABRB3 3741/4885

“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.