SCHEMBL3379111

SCHEMBL3379111

CC(C)NC(=O)c1cccc(OS(=O)(=O)C(F)(F)F)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
CXCR2 P25025 2/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MLYCD O95822 1/20 0.38
HTR2A P28223 1/20 0.38
TSPO P30536 1/20 0.38
GPR183 P32249 1/20 0.38
APLNR P35414 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
DRD2 P14416 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL3373454 0.90 MEN1 (0.48) NPSR1ALDH1A1HPGDDRD2KDM4E
SCHEMBL3379105 0.90 NPSR1 (0.40) NPSR1ALDH1A1HPGDCXCR2LMNA
SCHEMBL3377677 0.87 MEN1 (0.37) NPSR1ALDH1A1HPGDCXCR2HTR2A
SCHEMBL3376138 0.85 POLB (0.45) ALDH1A1HPGDCXCR2MLYCDRXFP1
SCHEMBL551925 0.85 ALDH1A1 (0.42) ALDH1A1HPGDLMNAL3MBTL1KDM4E
SCHEMBL3377822 0.85 MAPT (0.42) NPSR1ALDH1A1HPGDL3MBTL1DRD2
SCHEMBL3373248 0.83 MEN1 (0.40) ALDH1A1HPGDCXCR2LMNAL3MBTL1
SCHEMBL6227836 0.82 KCNA3 (0.38) HPGDCXCR2HTR2ATSPOGPR183
SCHEMBL3377423 0.81 DRD2 (0.44) NPSR1ALDH1A1RXFP1DRD2HTT
SCHEMBL3373446 0.81 MEN1 (0.45) ALDH1A1HPGDDRD2KDM4ECA12

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 NPSR1 918/4885ALDH1A1 1071/4885HPGD 2293/4885

“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.