SCHEMBL2690128

SCHEMBL2690128

CC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C(C(=O)O)C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.58
MMP13 P45452 13/20 0.58
MMP9 P14780 12/20 0.58
MMP3 P08254 10/20 0.58
MMP7 P09237 9/20 0.58
ADAM17 P78536 2/20 0.51
HSD11B1 P28845 1/20 0.47
MMP2 P08253 1/20 0.46
MMP8 P22894 1/20 0.46
MMP14 P50281 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL2690125 1.00 MMP1 (0.58) MMP1MMP13MMP9MMP3MMP7
SCHEMBL27770182 0.89 MMP1 (0.62) MMP1MMP13MMP9MMP3MMP7
SCHEMBL2441138 0.87 MMP1 (0.63) MMP1MMP13MMP9MMP3MMP7
SCHEMBL6267756 0.84 MMP1 (0.60) MMP1MMP13MMP9MMP3MMP7
SCHEMBL28944271 0.84 MMP1 (0.51) MMP1MMP13MMP9MMP3MMP7
SCHEMBL27770023 0.83 MMP1 (0.52) MMP1MMP13MMP9MMP3MMP7
SCHEMBL2441144 0.82 MMP1 (0.52) MMP1MMP13MMP9MMP3MMP7
SCHEMBL2441141 0.82 MMP1 (0.52) MMP1MMP13MMP9MMP3MMP7
SCHEMBL2441137 0.82 MMP1 (0.52) MMP1MMP13MMP9MMP3MMP7
SCHEMBL3717658 0.82 ALDH1A1 (0.56) MMP1MMP13MMP9MMP3MMP7

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
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 MMP1 511/4885MMP13 451/4885MMP9 2522/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H MMP1 626/4885MMP13 553/4885MMP9 2144/4885

“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.