SCHEMBL4419601

SCHEMBL4419601

COC(=O)c1cc(S(N)(=O)=O)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.63
PTGS1 P23219 1/20 0.63
CA2 P00918 11/20 0.61
CA1 P00915 8/20 0.61
CA9 Q16790 8/20 0.61
CA12 O43570 7/20 0.61
CA14 Q9ULX7 4/20 0.61
CA7 P43166 2/20 0.61
YAP1 P46937 1/20 0.57
GAA P10253 5/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CA5A P35218 1/20 0.51
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50
PDK2 Q15119 1/20 0.47
PDK4 Q16654 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
SCHEMBL17363910 0.86 HSD17B10 (0.62) PTGS2PTGS1CA2CA1CA9
SCHEMBL2642603 0.86 CA2 (0.61) PTGS2PTGS1CA2CA1CA9
SCHEMBL27319746 0.85 CA2 (0.59) PTGS2PTGS1CA2CA1CA9
SCHEMBL16790372 0.85 CA2 (0.59) PTGS2PTGS1CA2CA1CA9
SCHEMBL1647307 0.85 CA2 (0.59) PTGS2PTGS1CA2CA1CA9
SCHEMBL25235102 0.85 CA2 (0.59) PTGS2PTGS1CA2CA1CA9
SCHEMBL1185698 0.83 ALDH1A1 (0.63) PTGS2PTGS1CA2CA1CA9
SCHEMBL3362967 0.83 CA2 (0.58) PTGS2PTGS1CA2CA1CA9
SCHEMBL330293 0.83 GAA (0.72) PTGS2PTGS1CA2CA1CA9
SCHEMBL4422735 0.83 CA2 (0.57) PTGS2PTGS1CA2CA1CA9

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 8 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
US-4935511-A Nervous system, gastrointestinal disorders RORER PHARMACEUTICAL CORPORATION (US) 1990-06-19 US 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 PTGS2 889/4885PTGS1 1143/4885CA2 3258/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 PTGS2 889/4885PTGS1 1143/4885CA2 3258/4885

“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.