SCHEMBL3882553

SCHEMBL3882553

CS(=O)(=O)c1ccc(OC(CF)CF)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
SLC6A9 P48067 11/20 0.43
S1PR3 Q99500 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
SLC6A5 Q9Y345 2/20 0.40
MAPK1 P28482 1/20 0.40
KCNH2 Q12809 3/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
DRD2 P14416 1/20 0.39
TSHR P16473 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
STAT6 P42226 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL1097386 0.82 LMNA (0.55) LMNASLC6A9S1PR3SLC6A5KCNH2
SCHEMBL2823255 0.81 SLC6A9 (0.52) LMNASLC6A9S1PR3PTGDR2SLC6A5
SCHEMBL2823258 0.81 SLC6A9 (0.52) LMNASLC6A9S1PR3PTGDR2SLC6A5
SCHEMBL2827895 0.81 SLC6A9 (0.52) LMNASLC6A9S1PR3PTGDR2SLC6A5
SCHEMBL2827679 0.80 SLC6A9 (0.65) SLC6A9SLC6A5KCNH2
SCHEMBL30782446 0.80 SLC6A9 (0.65) SLC6A9SLC6A5KCNH2
SCHEMBL1812681 0.80 SLC6A9 (0.65) SLC6A9SLC6A5KCNH2
SCHEMBL31465294 0.80 SLC6A9 (0.65) SLC6A9SLC6A5KCNH2
SCHEMBL620281 0.80 SLC6A9 (0.65) SLC6A9SLC6A5KCNH2
SCHEMBL5047803 0.79 SLC6A9 (0.47) LMNASLC6A9S1PR3SLC6A5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
US-7605163-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-20 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 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
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 US 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 (4 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 LMNA 1835/4885SLC6A9 1024/4885S1PR3 1473/4885
US-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 LMNA 4719/4885SLC6A9 82/4885S1PR3 3052/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 LMNA 1835/4885SLC6A9 1024/4885S1PR3 1473/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 LMNA 4719/4885SLC6A9 82/4885S1PR3 3052/4885

“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.