SCHEMBL3376166

SCHEMBL3376166

CCCCNC(=O)c1cccc(OS(C)(=O)=O)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
HTT P42858 1/20 0.54
HPGD P15428 5/20 0.48
ALDH1A1 P00352 2/20 0.47
HCRTR1 O43613 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NAAA Q02083 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
PTPN1 P18031 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3377283 0.93 HCRTR1 (0.45) TSHRHTTHPGDALDH1A1HCRTR1
SCHEMBL3376163 0.90 TSHR (0.50) TSHRHTTHPGDALDH1A1HCRTR1
SCHEMBL3373267 0.90 TSHR (0.54) TSHRHTTHPGDALDH1A1HCRTR1
SCHEMBL3378266 0.87 TSHR (0.50) TSHRHTTHPGDALDH1A1HCRTR1
SCHEMBL3375839 0.85 ALDH1A1 (0.45) HPGDALDH1A1HCRTR1MEN1KMT2A
SCHEMBL11275476 0.85 TSHR (0.59) TSHRHTTHPGDALDH1A1HCRTR1
SCHEMBL3377451 0.84 MEN1 (0.44) HPGDALDH1A1HCRTR1MEN1KMT2A
SCHEMBL3377281 0.82 CA12 (0.43) TSHRHTTALDH1A1HCRTR1MEN1
SCHEMBL3378396 0.82 HCRTR1 (0.45) TSHRHTTHPGDALDH1A1HCRTR1
SCHEMBL3377865 0.81 POLB (0.48) HPGDALDH1A1MEN1KMT2ASMN1; 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 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 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.