SCHEMBL3377828

SCHEMBL3377828

CCC(C)NC(=O)c1cccc(OS(C)(=O)=O)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNA5 P22460 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
SCHEMBL551638 0.92 ALDH1A1 (0.45) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL3377855 0.90 MEN1 (0.51) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL3377825 0.90 MEN1 (0.48) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL551925 0.90 ALDH1A1 (0.42) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL550872 0.89 MEN1 (0.39) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL2889721 0.89 MEN1 (0.40) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL3373454 0.87 MEN1 (0.48) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL3377865 0.82 POLB (0.48) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL3373248 0.82 MEN1 (0.40) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL551637 0.82 ALDH1A1 (0.45) MEN1KMT2AALDH1A1RAB9AHPGD

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-1955172-A Phthalic acid derivative and use for preparing phthalamide derivative intermediate BAYER CROPSCIENCE AG (DE) 2007-05-02 CN disclosed
CN-1955162-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 MEN1 1772/4885KMT2A 102/4885ALDH1A1 1071/4885

“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.