SCHEMBL3378396

SCHEMBL3378396

CCCNC(=O)c1cccc(OS(=O)(=O)CC)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
PTPN1 P18031 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL3373267 0.93 TSHR (0.54) HCRTR1MEN1KMT2AHIF1ANPSR1
SCHEMBL3377283 0.90 HCRTR1 (0.45) HCRTR1PTGDR2MEN1KMT2AHIF1A
SCHEMBL3378393 0.90 CA12 (0.43) HCRTR1PTGDR2MEN1KMT2AHIF1A
SCHEMBL3377883 0.88 HCRTR1 (0.41) HCRTR1MEN1KMT2AHIF1ANPSR1
SCHEMBL3376469 0.87 ALDH1A1 (0.42) HCRTR1MEN1KMT2AHIF1ANPSR1
SCHEMBL3377423 0.86 DRD2 (0.44) HCRTR1PTGDR2MEN1KMT2AHIF1A
SCHEMBL3374470 0.85 POLB (0.47) HCRTR1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL3373248 0.83 MEN1 (0.40) MEN1KMT2AHTTALDH1A1CA12
SCHEMBL3376166 0.82 TSHR (0.54) HCRTR1MEN1KMT2AHIF1ANPSR1
SCHEMBL3373263 0.82 TSHR (0.50) HCRTR1MEN1KMT2AHIF1ANPSR1

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 HCRTR1 17/4885PTGDR2 3353/4885MEN1 1772/4885

“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.