SCHEMBL4422191

SCHEMBL4422191

CC(C)Oc1ccc(S(=O)(=O)C2CC2)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.44
SLC6A9 P48067 4/20 0.44
ALDH1A1 P00352 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.40
S1PR3 Q99500 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
GCK P35557 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL5043166 0.83 S1PR3 (0.45) APEX1SLC6A9S1PR3GCKMAPK1
SCHEMBL1097386 0.81 LMNA (0.55) SLC6A9ALDH1A1S1PR3
SCHEMBL2828915 0.79 S1PR3 (0.48) SLC6A9ALDH1A1S1PR3IRAK4MAPK1
SCHEMBL5037977 0.78 APEX1 (0.42) APEX1SLC6A9MRGPRX1
SCHEMBL5041907 0.78 PDE4A (0.42) APEX1SLC6A9MRGPRX1
SCHEMBL3874483 0.78 MAPK1 (0.46) SLC6A9ALDH1A1S1PR3L3MBTL1IRAK4
SCHEMBL5043956 0.77 SLC6A9 (0.45) APEX1SLC6A9MRGPRX1S1PR3
SCHEMBL4425037 0.75 ALDH1A1 (0.60) ALDH1A1
SCHEMBL21545543 0.74 HTR2B (0.45) SLC6A9
SCHEMBL11170653 0.74 KDM4E (0.53) APEX1ALDH1A1L3MBTL1

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 APEX1 4686/4885SLC6A9 82/4885ALDH1A1 1436/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 APEX1 4686/4885SLC6A9 82/4885ALDH1A1 1436/4885

“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.