SCHEMBL3374741

SCHEMBL3374741

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.44
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DRD3 P35462 6/20 0.34
HTR1D P28221 2/20 0.34
TYMS P04818 1/20 0.34
DRD4 P21917 4/20 0.34
HTR5A P47898 1/20 0.34
CETP P11597 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD1 P21728 2/20 0.33
DRD5 P21918 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 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
SCHEMBL3375826 0.81 ALOX15 (0.32) DRD2ALOX15TDP1TYMSKDM4E
SCHEMBL19340027 0.79 KCNA3 (0.50) DRD2TDP1MEN1KMT2AKDM4E
SCHEMBL28806132 0.79 DRD2 (0.44) DRD2TDP1DRD3DRD4MEN1
SCHEMBL17485148 0.79 DRD2 (0.42) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL550665 0.79 TDP1 (0.39) ALOX15TDP1TYMSMEN1KMT2A
SCHEMBL19885488 0.78 DRD2 (0.41) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL1026931 0.77 DRD2 (0.43) DRD2MEN1KMT2AKDM4EALDH1A1
SCHEMBL3376352 0.76 TDP1 (0.36) ALOX15TDP1TYMSMEN1KMT2A
SCHEMBL30705191 0.76 DRD2 (0.44) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL7023211 0.76 DRD2 (0.42) DRD2DRD3HTR1DDRD4HTR5A

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 DRD2 2764/4885ALOX15 4156/4885TDP1 3715/4885

“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.