SCHEMBL2442473

SCHEMBL2442473

O=C(O)COc1ccccc1-c1cc[c]cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
PTGDR2 Q9Y5Y4 11/20 0.54
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GLA P06280 1/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
USP2 O75604 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47

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
SCHEMBL1947848 0.88 L3MBTL1 (0.72) L3MBTL1TDP1PTGDR2POLBSMN1; SMN2
SCHEMBL30537993 0.82 L3MBTL1 (0.59) L3MBTL1TDP1PTGDR2POLBSMN1; SMN2
SCHEMBL7806644 0.81 PTGDR2 (0.65) L3MBTL1TDP1PTGDR2POLBSMN1; SMN2
SCHEMBL7673601 0.81 TDP1 (0.45) L3MBTL1TDP1SMN1; SMN2LMNAMAPK1
SCHEMBL21497779 0.80 PTGDR2 (0.72) L3MBTL1TDP1PTGDR2POLBSMN1; SMN2
SCHEMBL27688196 0.79 L3MBTL1 (0.65) L3MBTL1TDP1PTGDR2POLBSMN1; SMN2
SCHEMBL6099358 0.77 RXRA (0.56) L3MBTL1TDP1MAPK1MAPTRXRA
SCHEMBL340762 0.76 L3MBTL1 (0.80) L3MBTL1TDP1PTGDR2POLBSMN1; SMN2
SCHEMBL29682135 0.76 L3MBTL1 (0.80) L3MBTL1TDP1PTGDR2POLBSMN1; SMN2
SCHEMBL444326 0.76 PTPRC (0.51) L3MBTL1TDP1GLAMAPK1KDM4E

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 L3MBTL1 3914/4885TDP1 3736/4885PTGDR2 3996/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H L3MBTL1 4171/4885TDP1 3900/4885PTGDR2 3910/4885

“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.