SCHEMBL3375826

SCHEMBL3375826

O=C1OC(=O)c2c(OS(=O)(=O)CC(F)(F)F)cccc21

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR2 P34972 3/20 0.32
TYMS P04818 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DRD2 P14416 1/20 0.30

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
SCHEMBL3376352 0.82 TDP1 (0.36) ALOX15TDP1TYMSKDM4ENPC1
SCHEMBL3374741 0.81 DRD2 (0.44) ALOX15TDP1TYMSKDM4ENPC1
SCHEMBL550665 0.75 TDP1 (0.39) ALOX15TDP1TYMSKDM4ENPC1
SCHEMBL926367 0.75 CNR2 (0.33) CNR2
SCHEMBL4679554 0.73 DRD1 (0.40) TDP1KDM4EALDH1A1MAPTRAB9A
SCHEMBL261809 0.70 TDP1 (0.48) ALOX15TDP1TYMSKDM4ENPC1
SCHEMBL8948094 0.70 TDP1 (0.48) ALOX15TDP1TYMSKDM4ENPC1
SCHEMBL31228169 0.70 TDP1 (0.48) ALOX15TDP1TYMSKDM4ENPC1
SCHEMBL9315181 0.70 ALOX15 (0.36) ALOX15TDP1TYMSKDM4ENPC1
SCHEMBL27267547 0.70 HTT (0.47) TDP1KDM4EALDH1A1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517886-B1 NOVEL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-10 EP disclosed
US-7132455-B2 Phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2006-11-07 US disclosed
US-20060035967-A1 Novel phthalamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-02-16 US disclosed
EP-1517886-A1 NOVEL PHTHALAMIDE DERIVATIVES Bayer CropScience AG (DE) 2005-03-30 EP disclosed
WO-2004000796-A1 NOVEL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-12-31 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 (1 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-20060035967-A1 Novel phthalamide derivatives HDAC1, HDAC2, CRY1 ALOX15 4156/4885TDP1 3715/4885CNR2 2073/4885

“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.