SCHEMBL4422116

SCHEMBL4422116

COC(=O)c1cc(S(C)(=O)=O)ccc1OCC(F)(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.43
SLC6A9 P48067 6/20 0.41
KCNH2 Q12809 2/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 2/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
STAT6 P42226 1/20 0.41
BLM P54132 1/20 0.41
SDHB P21912 1/20 0.41
CYP1A2 P05177 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 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
SCHEMBL1814036 0.87 LMNA (0.48) EPAS1SLC6A9KCNH2LMNACYP2C9
SCHEMBL4418726 0.82 SLC6A9 (0.54) EPAS1SLC6A9KCNH2LMNACYP2C9
SCHEMBL6628635 0.81 HTT (0.52) SLC6A9KCNH2LMNACYP2C9TSHR
SCHEMBL29283392 0.80 EPAS1 (0.45) EPAS1SLC6A9KCNH2LMNACYP2C9
SCHEMBL6628554 0.79 S1PR3 (0.49) EPAS1SLC6A9KCNH2LMNACYP2C9
SCHEMBL6629256 0.79 LMNA (0.47) EPAS1KCNH2LMNACYP2C9TSHR
SCHEMBL6630509 0.78 S1PR3 (0.54) SLC6A9KCNH2LMNACYP2C9TSHR
SCHEMBL6630760 0.78 SLC6A9 (0.49) SLC6A9KCNH2LMNACYP2C9TSHR
SCHEMBL3220624 0.78 SMN1; SMN2 (0.57) KCNH2LMNACYP2C9TSHRADRA2A
SCHEMBL28064698 0.78 SLC6A9 (0.52) SLC6A9KCNH2CYP2C9CYP2D6CYP1A2

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 EPAS1 2020/4885SLC6A9 82/4885KCNH2 719/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 EPAS1 2020/4885SLC6A9 82/4885KCNH2 719/4885

“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.