SCHEMBL2447925

SCHEMBL2447925

CC(C)c1ccc(CNC(=O)C2CN(C(=O)OC(C)(C)C)CCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.54
MMP9 P14780 5/20 0.54
MMP3 P08254 4/20 0.54
MMP7 P09237 4/20 0.54
MMP13 P45452 5/20 0.48
ADAM17 P78536 2/20 0.45
TACR1 P25103 2/20 0.44
TRPA1 O75762 2/20 0.44
FKBP1A P62942 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NAMPT P43490 1/20 0.42
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL2447924 1.00 MMP1 (0.54) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2442351 0.93 MMP1 (0.48) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2438744 0.89 FKBP1A (0.47) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2441463 0.89 MMP1 (0.48) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2438909 0.89 MMP1 (0.48) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2440433 0.89 MMP1 (0.48) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2441912 0.89 MMP1 (0.48) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4582127 0.89 FKBP1A (0.48) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2444172 0.89 MMP1 (0.56) MMP1MMP9MMP3MMP7MMP13
SCHEMBL2444170 0.89 MMP1 (0.56) 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.