SCHEMBL3377862

SCHEMBL3377862

CC(C)CNC(=O)c1c(OS(C)(=O)=O)cccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 3/20 0.42
KCNA3 P22001 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
F3 P13726 1/20 0.38
KDM4E B2RXH2 5/20 0.38
MEN1 O00255 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3377865 0.90 POLB (0.48) POLBKMT2AHSD17B10GAAHPGD
SCHEMBL3374465 0.89 POLB (0.44) POLBKMT2AHSD17B10GAAHPGD
SCHEMBL3376132 0.87 POLB (0.43) POLBKMT2AHSD17B10GAAHPGD
SCHEMBL551924 0.84 HPGD (0.41) KMT2AHSD17B10HPGDKDM4EALDH1A1
SCHEMBL3377281 0.84 CA12 (0.43) KMT2ASMN1; SMN2KDM4EMEN1TAAR1
SCHEMBL3377825 0.82 MEN1 (0.48) KMT2AHSD17B10HPGDSMN1; SMN2KDM4E
SCHEMBL3376163 0.81 TSHR (0.50) KMT2AHPGDSMN1; SMN2KDM4EMEN1
SCHEMBL3377448 0.81 MEN1 (0.41) POLBKMT2AHPGDSMN1; SMN2TP53
SCHEMBL550871 0.80 MEN1 (0.36) POLBKMT2AHSD17B10HPGDSMN1; SMN2
SCHEMBL551637 0.80 ALDH1A1 (0.45) POLBKMT2AGAAHPGDSMN1; SMN2

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 10 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
CN-100556903-C Phthalic acid derivative and as the purposes of preparation butyl benzene orthobenzol diacid amide derivative intermediate BAYER CROPSCIENCE AG (DE) 2009-11-04 CN disclosed
CN-100516033-C Novel phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2009-07-22 CN disclosed
CN-1955162-A Phthalic acid derivative and use for preparing phthalamide derivative intermediate BAYER CROPSCIENCE AG (DE) 2007-05-02 CN disclosed
CN-1955172-A Phthalic acid derivative and use for preparing phthalamide derivative intermediate BAYER CROPSCIENCE AG (DE) 2007-05-02 CN 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
CN-1671655-A Novel phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2005-09-21 CN 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 102/4885HSD17B10 895/4885

“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.