SCHEMBL4418657

SCHEMBL4418657

CN(C)C(=O)Oc1ccc(S(C)(=O)=O)cc1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
HPGD P15428 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL28638206 0.81 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMAPK1LMNA
SCHEMBL4426064 0.80 LMNA (0.53) PTGDR2MAPK1LMNATSHR
SCHEMBL4421604 0.79 TDP1 (0.60) ALDH1A1MAPTKMT2AMAPK1MEN1
SCHEMBL942785 0.77 KMT2A (0.49) PTGDR2ALDH1A1MAPTKMT2AMAPK1
SCHEMBL26376259 0.77 MAPT (0.52) ALDH1A1MAPTKMT2AMAPK1MEN1
SCHEMBL22119506 0.76 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMAPK1MEN1
SCHEMBL23155481 0.73 PTPN1 (0.47) ALDH1A1MAPTKMT2AMAPK1MEN1
SCHEMBL3885337 0.73 FOLH1 (0.60) PTGDR2ALDH1A1MAPTKMT2AMEN1
SCHEMBL14030666 0.71 TDP1 (0.61) ALDH1A1MAPTKMT2AMAPK1NPC1
SCHEMBL11337128 0.70 TDP1 (0.54) ALDH1A1MAPTKMT2AMAPK1MEN1

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 PTGDR2 383/4885ALDH1A1 1436/4885MAPT 150/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 PTGDR2 383/4885ALDH1A1 1436/4885MAPT 150/4885

“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.