SCHEMBL3373572

SCHEMBL3373572

CCS(=O)(=O)Oc1cccc(C(=O)NC(C)(C)CSC)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPN1 P18031 1/20 0.34
ALOX15 P16050 1/20 0.32
CA12 O43570 3/20 0.32
CA9 Q16790 3/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL3373569 0.91 NPSR1 (0.40) NPSR1L3MBTL1ALOX15CA12CA9
SCHEMBL2891988 0.90 NPSR1 (0.41) NPSR1L3MBTL1PTPN1ALOX15CA12
SCHEMBL3377641 0.88 NPSR1 (0.40) NPSR1L3MBTL1PTPN1ALOX15CA12
SCHEMBL3377691 0.86 NPSR1 (0.42) NPSR1L3MBTL1PTPN1ALOX15CA12
SCHEMBL2891984 0.81 NPSR1 (0.39) NPSR1L3MBTL1ALOX15CA12CA9
SCHEMBL3377883 0.80 HCRTR1 (0.41) NPSR1L3MBTL1KMT2AMEN1
SCHEMBL550827 0.79 NPSR1 (0.55) NPSR1L3MBTL1PTPN1ALOX15CA12
SCHEMBL3377632 0.79 NPSR1 (0.37) NPSR1L3MBTL1ALOX15CA12CA9
SCHEMBL3377960 0.79 MEN1 (0.41) NPSR1PTPN1POLBKMT2AMEN1
SCHEMBL550488 0.77 PTPN1 (0.42) NPSR1L3MBTL1PTPN1POLBKMT2A

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 NPSR1 918/4885L3MBTL1 1720/4885PTPN1 3309/4885

“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.