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Sugi Predict / Compounds / SCHEMBL4402272

SCHEMBL4402272

SCHEMBL4402272

CCNC(=O)C1CN(C(=O)CC)CCN1S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ GAA P10253 1/20 0.39
▸ MMP1 P03956 8/20 0.38
▸ MMP13 P45452 8/20 0.38
▸ MMP9 P14780 7/20 0.38
▸ MMP3 P08254 6/20 0.38
▸ MMP7 P09237 6/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CHRNB2 P17787 3/20 0.36
▸ CHRNA3 P32297 3/20 0.36
▸ CHRNA4 P43681 3/20 0.36
▸ CHRNB4 P30926 2/20 0.36
▸ CHRNA7 P36544 2/20 0.36
▸ ADAM17 P78536 2/20 0.36
▸ CHRNB3 Q05901 1/20 0.34
▸ CHRNA6 Q15825 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ BLM P54132 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
SCHEMBL4403922 0.87 KMT2A (0.50) ALDH1A1GAAMMP1MMP13MMP9
SCHEMBL4403109 0.87 ALDH1A1 (0.49) ALDH1A1GAAMMP1MMP13MMP9
SCHEMBL4402242 0.85 ALDH1A1 (0.47) ALDH1A1GAAMMP1MMP13MMP9
SCHEMBL4409179 0.84 ALDH1A1 (0.46) ALDH1A1GAAMMP1MMP13MMP9
SCHEMBL4403091 0.84 ALDH1A1 (0.46) ALDH1A1GAAMMP1MMP13MMP9
SCHEMBL4409172 0.83 ALDH1A1 (0.46) ALDH1A1GAAMMP1MMP13MMP9
SCHEMBL4402247 0.81 ALDH1A1 (0.48) ALDH1A1GAAMMP1MMP13MMP9
SCHEMBL4403936 0.81 ALDH1A1 (0.44) ALDH1A1GAAMMP1MMP13MMP9
SCHEMBL4403933 0.80 ALDH1A1 (0.47) ALDH1A1GAAMMP1MMP13MMP9
SCHEMBL4402268 0.72 MMP1 (0.43) ALDH1A1MMP1MMP13MMP9MMP3

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 3 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
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 ALDH1A1 96/4885GAA 374/4885MMP1 511/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H ALDH1A1 557/4885GAA 697/4885MMP1 626/4885

“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.