SCHEMBL4420163

SCHEMBL4420163

O=S(=O)(CCCCl)c1ccc(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.39
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GRM4 Q14833 1/20 0.34
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
KMT2A Q03164 2/20 0.30
CCR2 P41597 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL4420399 0.78 CYP3A4 (0.41) CA2LMNAHSD17B10ALDH1A1PKM
SCHEMBL4424221 0.71 CA2 (0.42) CA2ALDH1A1KMT2AMAPT
SCHEMBL533092 0.70 HSD17B10 (0.40) LMNAHSD17B10GRM4ALDH1A1PKM
SCHEMBL29668868 0.70 HSD17B10 (0.40) LMNAHSD17B10GRM4ALDH1A1PKM
SCHEMBL29203696 0.69 LMNA (0.42) LMNAHSD17B10GRM4ALDH1A1PKM
SCHEMBL3296846 0.68 ALDH1A1 (0.48) CA2ALDH1A1PKMKMT2AMEN1
SCHEMBL28771828 0.68 LMNA (0.41) CA2LMNAHSD17B10GRM4ALDH1A1
SCHEMBL2047328 0.68 LMNA (0.41) CA2LMNAHSD17B10GRM4ALDH1A1
SCHEMBL3712172 0.66 CES2 (0.43) CA2LMNAHSD17B10GRM4ALDH1A1
SCHEMBL1799529 0.66 PTGES2 (0.43) CA2LMNAHSD17B10CES2CES1

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 CA2 3258/4885LMNA 4719/4885HSD17B10 2913/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 CA2 3258/4885LMNA 4719/4885HSD17B10 2913/4885

“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.