SCHEMBL3376138

SCHEMBL3376138

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MLYCD O95822 1/20 0.40
KCNA3 P22001 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CXCR2 P25025 1/20 0.36
CA2 P00918 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL3376132 0.91 POLB (0.43) POLBKMT2AGAAHSD17B10MLYCD
SCHEMBL6227836 0.89 KCNA3 (0.38) POLBKMT2AGAAKCNA3TP53
SCHEMBL3377865 0.87 POLB (0.48) POLBKMT2AGAAHSD17B10KCNA3
SCHEMBL3374470 0.86 POLB (0.47) POLBKMT2AGAAHSD17B10KCNA3
SCHEMBL3379111 0.85 NPSR1 (0.40) HSD17B10MLYCDHPGDKDM4EALDH1A1
SCHEMBL3377423 0.85 DRD2 (0.44) POLBKMT2AMEN1ALDH1A1RXFP1
SCHEMBL3373454 0.84 MEN1 (0.48) POLBKMT2AHSD17B10SMN1; SMN2HPGD
SCHEMBL3378266 0.83 TSHR (0.50) KMT2ASMN1; SMN2HPGDMEN1ALDH1A1
SCHEMBL3374783 0.82 MEN1 (0.40) POLBKMT2ASMN1; SMN2TP53HPGD
SCHEMBL27633374 0.81 POLB (0.47) POLBKMT2AGAAHSD17B10MLYCD

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 POLB 4159/4885KMT2A 102/4885GAA 3063/4885

“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.