SCHEMBL4432330

SCHEMBL4432330

CC(C)S(=O)(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
GPR119 Q8TDV5 11/20 0.43
F13A1 P00488 2/20 0.41
TGM2 P21980 2/20 0.41
TGM1 P22735 1/20 0.41
HTT P42858 2/20 0.41
STS P08842 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
ATM Q13315 1/20 0.40
NR1H2 P55055 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
SCHEMBL4422025 0.82 GPR119 (0.47) ALDH1A1MAPTLMNAGPR119MEN1
SCHEMBL4432334 0.81 MEN1 (0.44) ALDH1A1MAPTLMNAGPR119F13A1
SCHEMBL29964213 0.79 LMNA (0.48) ALDH1A1MAPTLMNAGPR119MEN1
SCHEMBL21245582 0.79 MAPT (0.51) ALDH1A1MAPTLMNAGPR119MEN1
SCHEMBL31487442 0.79 MAPT (0.51) ALDH1A1MAPTLMNAGPR119MEN1
SCHEMBL22957301 0.77 MAPT (0.46) ALDH1A1MAPTLMNAGPR119MEN1
SCHEMBL5038363 0.76 SLC6A9 (0.55)
SCHEMBL3922803 0.76 GPR119 (0.48) ALDH1A1MAPTLMNAGPR119NR1H2
SCHEMBL20129649 0.75 SMARCA2 (0.47) ALDH1A1MAPTLMNAGPR119F13A1
SCHEMBL30965511 0.75 MAPT (0.59) ALDH1A1MAPTLMNAMAPK1MEN1

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 ALDH1A1 1436/4885MAPT 150/4885LMNA 4719/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 ALDH1A1 1436/4885MAPT 150/4885LMNA 4719/4885

“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.