SCHEMBL2441960

SCHEMBL2441960

CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)C(C(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MMP1 P03956 4/20 0.48
MMP9 P14780 4/20 0.48
MMP13 P45452 3/20 0.48
MMP3 P08254 3/20 0.48
MMP7 P09237 3/20 0.48
FKBP1A P62942 1/20 0.46
LMNA P02545 1/20 0.46
ADAM17 P78536 1/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CCR4 P51679 1/20 0.44
PKM P14618 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
SCHEMBL2445662 0.97 KMT2A (0.52) KMT2AMEN1MMP1MMP9MMP13
SCHEMBL2437656 0.93 MMP1 (0.54) KMT2AMEN1MMP1MMP9MMP13
SCHEMBL2440508 0.93 MMP1 (0.54) KMT2AMEN1MMP1MMP9MMP13
SCHEMBL2442409 0.93 FKBP1A (0.53) MMP1MMP9MMP13MMP3MMP7
SCHEMBL2439810 0.93 FKBP1A (0.53) MMP1MMP9MMP13MMP3MMP7
SCHEMBL2444447 0.92 FKBP1A (0.47) KMT2AMEN1MMP1MMP9MMP13
SCHEMBL2439103 0.90 MMP1 (0.51) KMT2AMEN1MMP1MMP9MMP13
SCHEMBL2439031 0.90 MMP1 (0.51) KMT2AMEN1MMP1MMP9MMP13
SCHEMBL2441086 0.90 FKBP1A (0.58) KMT2AMEN1MMP1MMP9MMP13
SCHEMBL2442201 0.90 MMP1 (0.51) KMT2AMEN1MMP1MMP9MMP13

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 5 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-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-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 KMT2A 779/4885MEN1 4883/4885MMP1 511/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H KMT2A 1343/4885MEN1 4872/4885MMP1 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.