SCHEMBL2825071

SCHEMBL2825071

COC(=O)c1cc(S(C)(=O)=O)ccc1OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
EPAS1 Q99814 1/20 0.46
LMNA P02545 5/20 0.45
KCNH2 Q12809 2/20 0.43
TSHR P16473 2/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
STAT6 P42226 1/20 0.43
SLC6A9 P48067 1/20 0.43
ALDH1A1 P00352 2/20 0.43
BLM P54132 1/20 0.43
CA2 P00918 3/20 0.42
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2826308 0.85 LMNA (0.59) SMN1; SMN2EPAS1LMNAKCNH2TSHR
SCHEMBL3220624 0.84 SMN1; SMN2 (0.57) SMN1; SMN2LMNAKCNH2TSHRADRA2A
SCHEMBL29283392 0.83 EPAS1 (0.45) SMN1; SMN2EPAS1LMNAKCNH2TSHR
SCHEMBL7522096 0.81 SMN1; SMN2 (0.45) SMN1; SMN2EPAS1LMNAKCNH2TSHR
SCHEMBL6628635 0.79 HTT (0.52) SMN1; SMN2LMNAKCNH2TSHRADRA2A
SCHEMBL2872060 0.78 LMNA (0.68) SMN1; SMN2LMNATSHRALDH1A1GAA
SCHEMBL6629256 0.77 LMNA (0.47) SMN1; SMN2EPAS1LMNAKCNH2TSHR
SCHEMBL6628554 0.77 S1PR3 (0.49) SMN1; SMN2EPAS1LMNAKCNH2TSHR
SCHEMBL26921223 0.77 EPAS1 (0.49) SMN1; SMN2EPAS1LMNATSHRALDH1A1
SCHEMBL2825210 0.77 SLC6A9 (0.62) KCNH2SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838308-B1 [4-(HETEROARYL)PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS HOFFMANN LA ROCHE (CH) 2010-06-30 EP 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-1838308-A1 [4-(HETEROARYL)PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. Hoffmann-Roche AG (CH) 2007-10-03 EP disclosed
US-7220744-B2 Monocyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2007-05-22 US disclosed
US-7220744-B2 Monocyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2007-05-22 US disclosed
US-7220744-B2 Monocyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2007-05-22 US disclosed
US-20060167009-A1 Monocyclic substituted phenyl methanones F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 US disclosed
WO-2006072436-A1 [4-(HETEROARYL) PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-13 WO disclosed
WO-2006072436-A1 [4-(HETEROARYL) PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-13 WO 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 SMN1; SMN2 1268/4885EPAS1 2020/4885LMNA 4719/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 SMN1; SMN2 1268/4885EPAS1 2020/4885LMNA 4719/4885
US-20060167009-A1 Monocyclic substituted phenyl methanones SLC1A2, SULT2A1, SLC6A5 SMN1; SMN2 2215/4885EPAS1 2450/4885LMNA 3963/4885

“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.