SCHEMBL3376163

SCHEMBL3376163

CCCCNC(=O)c1c(OS(C)(=O)=O)cccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 3/20 0.46
CYP2C9 P11712 1/20 0.46
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HCRTR1 O43613 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NAAA Q02083 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3377281 0.93 CA12 (0.43) TSHRHTTCA12CA9SMN1; SMN2
SCHEMBL3376166 0.90 TSHR (0.54) TSHRHTTHPGDCYP2C9SMN1; SMN2
SCHEMBL3373263 0.90 TSHR (0.50) TSHRHTTHPGDCYP2C9CA12
SCHEMBL5716640 0.88 HCRTR1 (0.40) TSHRHTTHPGDSMN1; SMN2ALDH1A1
SCHEMBL3378263 0.87 TSHR (0.47) TSHRHTTHPGDCYP2C9CA12
SCHEMBL3375836 0.85 ALDH1A1 (0.42) HPGDSMN1; SMN2ALDH1A1HCRTR1MEN1
SCHEMBL3377448 0.84 MEN1 (0.41) HPGDSMN1; SMN2ALDH1A1HCRTR1MEN1
SCHEMBL3378393 0.82 CA12 (0.43) TSHRHTTCA12CA9SMN1; SMN2
SCHEMBL3377283 0.82 HCRTR1 (0.45) TSHRHTTHPGDCA12CA9
SCHEMBL3377862 0.81 POLB (0.45) HPGDSMN1; SMN2ALDH1A1MEN1KMT2A

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 TSHR 2448/4885HTT 513/4885HPGD 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.