SCHEMBL2446332

SCHEMBL2446332

COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C(C(=O)NCc3ccc(C(C)C)cc3)C2)nc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.42
TRPA1 O75762 9/20 0.41
PANK3 Q9H999 1/20 0.41
FKBP1A P62942 1/20 0.40
MMP1 P03956 2/20 0.39
ADAM17 P78536 1/20 0.39
KMT2A Q03164 1/20 0.39
OGA O60502 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL2446330 1.00 RORC (0.42) RORCTRPA1PANK3FKBP1AMMP1
SCHEMBL2444690 0.94 TRPA1 (0.40) RORCTRPA1PANK3FKBP1AMMP1
SCHEMBL2444686 0.94 TRPA1 (0.40) RORCTRPA1PANK3FKBP1AMMP1
SCHEMBL2443246 0.93 TRPA1 (0.40) TRPA1PANK3FKBP1AMMP1ADAM17
SCHEMBL12293828 0.93 PANK3 (0.42) RORCTRPA1PANK3FKBP1AMMP1
Trifluoroacetic Acid SCHEMBL2443244 0.91 TRPA1 (0.41) RORCTRPA1PANK3FKBP1AMMP1
SCHEMBL2441953 0.90 TRPA1 (0.43) TRPA1FKBP1A
SCHEMBL2444080 0.87 TRPA1 (0.43) TRPA1PANK3FKBP1A
SCHEMBL2447170 0.87 FKBP1A (0.40) TRPA1FKBP1AMMP1MMP3MMP7
SCHEMBL2443226 0.85 TRPA1 (0.42) TRPA1PANK3FKBP1A

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 7 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 claimed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP claimed
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 claimed
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 RORC 586/4885TRPA1 2171/4885PANK3 1918/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H RORC 827/4885TRPA1 1674/4885PANK3 2401/4885

“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.