SCHEMBL3377281

SCHEMBL3377281

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
HCRTR1 O43613 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CCR2 P41597 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3376163 0.93 TSHR (0.50) CA12CA9HCRTR1KMT2AMEN1
SCHEMBL3378393 0.90 CA12 (0.43) CA12CA9HCRTR1TAAR1PTGDR2
SCHEMBL3377283 0.90 HCRTR1 (0.45) CA12CA9HCRTR1PTGDR2KMT2A
SCHEMBL3375836 0.87 ALDH1A1 (0.42) HCRTR1TAAR1KMT2AMEN1HIF1A
SCHEMBL3377416 0.86 DRD2 (0.47) CA12CA9HCRTR1TAAR1PTGDR2
SCHEMBL3377448 0.86 MEN1 (0.41) HCRTR1TAAR1KMT2AMEN1MAPK1
SCHEMBL5716640 0.85 HCRTR1 (0.40) HCRTR1TAAR1KMT2AMEN1HIF1A
SCHEMBL3377862 0.84 POLB (0.45) TAAR1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3373263 0.82 TSHR (0.50) CA12CA9HCRTR1KMT2AMEN1
SCHEMBL3376166 0.82 TSHR (0.54) HCRTR1KMT2AMEN1HIF1ANPSR1

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 CA12 3593/4885CA9 3070/4885HCRTR1 17/4885

“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.