SCHEMBL4421604

SCHEMBL4421604

CS(=O)(=O)c1ccc(O)c(C(=O)OCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.60
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 4/20 0.52
POLB P06746 3/20 0.52
EGFR P00533 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPK1 P28482 3/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
CCR6 P51684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP3A4 P08684 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
SCHEMBL26376259 0.84 MAPT (0.52) TDP1ALDH1A1POLBHPGDMAPT
SCHEMBL22119506 0.83 ALDH1A1 (0.49) TDP1ALDH1A1KDM4EPOLBMAPT
SCHEMBL942785 0.82 KMT2A (0.49) TDP1ALDH1A1KDM4EPOLBMAPT
SCHEMBL1655944 0.81 TDP1 (0.73) TDP1ALDH1A1POLBEGFRKMT2A
SCHEMBL5695937 0.80 TDP1 (0.67) TDP1ALDH1A1POLBEGFRKMT2A
SCHEMBL23155481 0.80 PTPN1 (0.47) TDP1ALDH1A1POLBMAPTKMT2A
SCHEMBL4418657 0.79 PTGDR2 (0.44) TDP1ALDH1A1HPGDMAPTKMT2A
SCHEMBL15341181 0.79 TDP1 (0.74) TDP1ALDH1A1POLBEGFRKMT2A
SCHEMBL5333023 0.79 TDP1 (0.69) TDP1ALDH1A1POLBEGFRHPGD
SCHEMBL7719669 0.78 TDP1 (0.63) TDP1ALDH1A1KDM4EEGFRHPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605163-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-20 US disclosed
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES JOLIDON SYNESE 2008-05-22 US disclosed
US-7319099-B2 Such as 1-{3-fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl benzoyl)-piperazin-1-yl]-phenyl}-ethanone for treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia, attention deficit disorders, or Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
EP-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 TDP1 894/4885ALDH1A1 1436/4885KDM4E 2701/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 TDP1 894/4885ALDH1A1 1436/4885KDM4E 2701/4885

“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.