SCHEMBL2442082

SCHEMBL2442082

Cc1n[c]sc1C(=O)N[C@H](C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
CA2 P00918 3/20 0.36
CA1 P00915 3/20 0.36
EGLN1 Q9GZT9 3/20 0.34
BBOX1 O75936 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
FTO Q9C0B1 1/20 0.34
CHRM4 P08173 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LTA4H P09960 2/20 0.31
AKR1B1 P15121 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL2439054 1.00 KDM4C (0.40) KDM4CCA2CA1EGLN1BBOX1
SCHEMBL2441464 0.77 ALDH1A1 (0.44) ALDH1A1HDAC8HDAC6MEN1KMT2A
SCHEMBL2440626 0.72
SCHEMBL969507 0.70
SCHEMBL971975 0.70 MMP13 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL2447674 0.69 MAPT (0.41) ALDH1A1KMT2A
SCHEMBL2439074 0.69 KDM4E (0.32) ALDH1A1
SCHEMBL2440144 0.67 SMN1; SMN2 (0.33) ALDH1A1
SCHEMBL2445035 0.66 HTR2C (0.38) ALDH1A1
SCHEMBL28696481 0.65 ALDH1A1 (0.45) KDM4CCA2CA1EGLN1BBOX1

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 KDM4C 302/4885CA2 920/4885CA1 3195/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H KDM4C 1304/4885CA2 3400/4885CA1 4582/4885

“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.