SCHEMBL3377423

SCHEMBL3377423

CCCNC(=O)c1cccc(OS(=O)(=O)C(F)(F)F)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.44
DRD3 P35462 4/20 0.44
HTR1D P28221 1/20 0.44
DRD4 P21917 2/20 0.43
HTR5A P47898 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
HCRTR1 O43613 2/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTPN1 P18031 1/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
NAAA Q02083 1/20 0.38

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
SCHEMBL3378266 0.93 TSHR (0.50) DRD2DRD3HTR1DRXFP1HCRTR1
SCHEMBL3377416 0.91 DRD2 (0.47) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL3376184 0.88 ALDH1A1 (0.40) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL3374783 0.87 MEN1 (0.40) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL3378396 0.86 HCRTR1 (0.45) HCRTR1ALDH1A1PTGDR2MEN1KMT2A
SCHEMBL3377283 0.86 HCRTR1 (0.45) HCRTR1ALDH1A1POLBPTGDR2MEN1
SCHEMBL3376138 0.85 POLB (0.45) RXFP1ALDH1A1POLBMEN1KMT2A
SCHEMBL3378263 0.84 TSHR (0.47) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL3373454 0.82 MEN1 (0.48) DRD2DRD3HTR1DALDH1A1POLB
SCHEMBL3377822 0.81 MAPT (0.42) DRD2DRD3HTR1DALDH1A1POLB

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 2764/4885DRD3 2669/4885HTR1D 2541/4885

“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.