SCHEMBL4419062

SCHEMBL4419062

O=C(O)c1cc(S(=O)(=O)CCCCl)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
HSD17B10 Q99714 4/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 3/20 0.55
CA2 P00918 3/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 2/20 0.46
TSHR P16473 1/20 0.45
CA1 P00915 2/20 0.45
PTGS2 P35354 3/20 0.44
CYP2C9 P11712 2/20 0.44
PTGS1 P23219 1/20 0.44
PHLPP2 Q6ZVD8 1/20 0.44
ALOX15 P16050 2/20 0.44
KLKB1 P03952 1/20 0.44
CTSB P07858 1/20 0.44
MMP9 P14780 1/20 0.44
DNMT1 P26358 1/20 0.44
DNMT3B Q9UBC3 1/20 0.44

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
SCHEMBL29501631 1.00 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4EHPGDCA2
SCHEMBL9379520 0.85 KAT8 (0.56) ALDH1A1HSD17B10KDM4EHPGDCA2
SCHEMBL11669345 0.83 ALDH1A1 (0.60) ALDH1A1HSD17B10KDM4EHPGDCA2
SCHEMBL10347259 0.82 KAT8 (0.61) ALDH1A1HSD17B10KDM4EHPGDCA2
SCHEMBL1129732 0.82 KAT8 (0.61) ALDH1A1HSD17B10KDM4EHPGDCA2
SCHEMBL11668620 0.78 ALDH1A1 (0.58) ALDH1A1HSD17B10KDM4EHPGDCA2
SCHEMBL9187575 0.76 CA1 (0.47) ALDH1A1HSD17B10KDM4EHPGDCA2
SCHEMBL9184886 0.75 MCL1 (0.46) ALDH1A1HSD17B10KDM4EHPGDCA2
SCHEMBL1020899 0.75 ALDH1A1 (0.68) ALDH1A1HSD17B10KDM4EHPGDCA2
SCHEMBL29707980 0.75 ALDH1A1 (0.68) ALDH1A1HSD17B10KDM4EHPGDCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303565-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-09-28 US disclosed
US-20230303565-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-09-28 US disclosed
US-20230303565-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-09-28 US disclosed
EP-4208464-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2023-07-12 EP disclosed
CN-116075226-A Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达农作物保护股份公司 2023-05-05 CN disclosed
WO-2022049144-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-03-10 WO disclosed
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 (3 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 ALDH1A1 1436/4885HSD17B10 2913/4885KDM4E 2701/4885
US-20230303565-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS GSTA1, QSOX1, ACAA2 ALDH1A1 218/4885HSD17B10 2713/4885KDM4E 2898/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 ALDH1A1 1436/4885HSD17B10 2913/4885KDM4E 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.