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SCHEMBL2441476

SCHEMBL2441476

CCCc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc(OCC(=O)OCC)c3)CC2C(=O)NCc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 7/20 0.50
▸ MMP9 P14780 7/20 0.50
▸ MMP3 P08254 6/20 0.50
▸ MMP7 P09237 6/20 0.50
▸ MMP13 P45452 5/20 0.50
▸ HCRTR1 O43613 3/20 0.43
▸ HCRTR2 O43614 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ FKBP1A P62942 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ MAPT P10636 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
SCHEMBL2441472 1.00 MMP1 (0.50) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2442115 0.93 MMP1 (0.52) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2442114 0.93 MMP1 (0.52) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2438413 0.92 MMP1 (0.48) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2438415 0.92 MMP1 (0.48) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2445529 0.83 MMP1 (0.51) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2440369 0.83 MMP1 (0.44) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2440373 0.83 MMP1 (0.44) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2445533 0.83 MMP1 (0.51) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2443224 0.81 MMP1 (0.45) MMP1MMP9MMP3MMP7MMP13

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 MMP1 511/4885MMP9 2522/4885MMP3 527/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H MMP1 626/4885MMP9 2144/4885MMP3 650/4885

“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.