SCHEMBL4420399

SCHEMBL4420399

CCCS(=O)(=O)c1ccc(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
CA2 P00918 3/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CNR1 P21554 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
RIPK1 Q13546 1/20 0.33
GLA P06280 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL28686204 0.80 FABP4 (0.40) CYP3A4CYP2C9CYP2C19CA2KMT2A
SCHEMBL4420163 0.78 CA2 (0.39) HSD17B10LMNACA2KMT2AALDH1A1
SCHEMBL12560651 0.73 LMNA (0.44) HSD17B10LMNAKMT2AKDM4EALDH1A1
SCHEMBL29203696 0.72 LMNA (0.42) HSD17B10LMNAKMT2AKDM4EALDH1A1
SCHEMBL25678197 0.72 KDM4E (0.45) HSD17B10LMNACA2KMT2AKDM4E
SCHEMBL25678193 0.72 CA12 (0.36) CYP3A4CYP2C9CYP2C19CA2KMT2A
SCHEMBL14426966 0.70 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19CA2KMT2A
SCHEMBL28771828 0.70 LMNA (0.41) HSD17B10LMNACA2KMT2AKDM4E
SCHEMBL2047328 0.70 LMNA (0.41) HSD17B10LMNACA2KMT2AKDM4E
SCHEMBL5345853 0.69 EGLN1 (0.46) LMNACA2KMT2AALDH1A1MEN1

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 CYP3A4 2360/4885CYP2C9 2908/4885CYP2C19 895/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 CYP3A4 2360/4885CYP2C9 2908/4885CYP2C19 895/4885

“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.