SCHEMBL2442291

SCHEMBL2442291

COc1cc[c]cc1CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.54
GAA P10253 3/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NFKB1 P19838 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA5A P35218 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
ABL1 P00519 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL22344469 0.86 HSD17B10 (0.50) HSD17B10GAATSHRALDH1A1NFKB1
SCHEMBL2444042 0.85 ALDH1A1 (0.41) HSD17B10TSHRALDH1A1TDP1MEN1
SCHEMBL2444264 0.83 POLB (0.45) HSD17B10NPSR1POLBSMN1; SMN2LMNA
SCHEMBL29180825 0.82 TSHR (0.45) HSD17B10GAATSHRALDH1A1TDP1
SCHEMBL457842 0.80 TAAR1 (0.37) HSD17B10TSHRALDH1A1KDM4ETAAR1
SCHEMBL11051979 0.78 AKR1B1 (0.41) HSD17B10TSHRTDP1NPSR1SMN1; SMN2
SCHEMBL391538 0.78 PDE4A (0.44) HSD17B10GAATSHRALDH1A1SMN1; SMN2
SCHEMBL7771341 0.77 AKR1B1 (0.43) HSD17B10GAATSHRALDH1A1TDP1
SCHEMBL2441285 0.76 LMNA (0.39) HSD17B10TSHRALDH1A1POLBSMN1; SMN2
SCHEMBL7388700 0.75 TAAR1 (0.35) TSHRSMN1; SMN2LMNATAAR1

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 HSD17B10 1395/4885GAA 374/4885TSHR 3775/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H HSD17B10 1248/4885GAA 697/4885TSHR 4735/4885

“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.