SCHEMBL1148349

SCHEMBL1148349

CCOc1ccc(OC(C)(C(=O)O)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.52
▸ PARP10 Q53GL7 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ PLA2G4B P0C869 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ PLK1 P53350 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ PPARG P37231 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL1148156 0.89 TSHR (0.51) NQO1PARP10POLBPLA2G4BTDP1
SCHEMBL1148154 0.82 POLB (0.49) NQO1PARP10POLBTDP1TSHR
SCHEMBL28180587 0.79 POLB (0.53) NQO1PARP10POLBPLA2G4BTDP1
SCHEMBL5512518 0.78 PPARG (0.49) POLBTSHRKMT2AMEN1CYP1A2
SCHEMBL1148203 0.78 NQO1 (0.52) NQO1PARP10POLBPLA2G4BTDP1
SCHEMBL7753233 0.78 NQO1 (0.52) NQO1PARP10POLBPLA2G4BTDP1
SCHEMBL28841161 0.78 NQO1 (0.52) NQO1PARP10POLBPLA2G4BTDP1
SCHEMBL9588418 0.76 CYP1A2 (0.53) NQO1PARP10POLBPLA2G4BTDP1
SCHEMBL28560657 0.76 SMN1; SMN2 (0.50) NQO1PARP10POLBPLA2G4BTDP1
SCHEMBL31571126 0.76 SMN1; SMN2 (0.50) NQO1PARP10POLBPLA2G4BTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884103-B2 such as N-(4-Chloro-phenyl)-2-methyl-2-phenylmethanesulfonylamino-3-(4-[1,2,4]triazol-1-yl-phenoxy)-propionamide, used for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi SYNGENTA CROP PROTECTION, INC. (US) 2011-02-08 — — US disclosed
US-20070155748-A1 N-sulfonyl-alpha-amino-acid derivatives SYNGENTA CROP PROTECTION, INC. 2007-07-05 — — US disclosed
EP-1660441-A2 N-SULFONYL-ALPHA-AMINO-ACID DERIVATIVES Syngenta Participations AG (CH) 2006-05-31 — — EP disclosed
WO-2005021490-A2 N-SULFONYL-α-AMINO-ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-03-10 — — 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-20070155748-A1 N-sulfonyl-alpha-amino-acid derivatives C3AR1, GLRA1, C5AR1 NQO1 1932/4885PARP10 1192/4885POLB 4770/4885

“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.

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