SCHEMBL4656751

SCHEMBL4656751

COc1ccc(CN(CC(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
TAS2R14 Q9NYV8 5/20 0.64
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
PTGER1 P34995 1/20 0.54
GAA P10253 1/20 0.54
KEAP1 Q14145 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
MMP3 P08254 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL17137126 0.90 ALDH1A1 (0.54) ALDH1A1TAS2R14MAPTTHRBLMNA
SCHEMBL16858484 0.90 TAS2R14 (0.64) ALDH1A1TAS2R14MAPTTHRBGAA
SCHEMBL4655727 0.89 ALDH1A1 (0.65) ALDH1A1TAS2R14MAPTTHRBLMNA
SCHEMBL4656559 0.87 ALDH1A1 (0.86) ALDH1A1TAS2R14MAPTTHRBLMNA
SCHEMBL21315083 0.81 TAS2R14 (0.56) TAS2R14KEAP1
SCHEMBL18553938 0.80 ALDH1A1 (0.53) ALDH1A1TAS2R14MAPTTHRBLMNA
SCHEMBL16858409 0.80 TAS2R14 (0.60) ALDH1A1TAS2R14MAPTTHRBLMNA
SCHEMBL5191217 0.79 TAS2R14 (0.71) ALDH1A1TAS2R14MAPTTHRBTSHR
SCHEMBL25225813 0.79 TAS2R14 (0.59) TAS2R14MAPTKEAP1
SCHEMBL17137230 0.78 ALDH1A1 (0.71) ALDH1A1TAS2R14MAPTTHRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996574-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-12-03 EP disclosed
US-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-12-27 US disclosed
WO-2007103554-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 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-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors PDE12, PDE10A, PDE4A ALDH1A1 716/4885TAS2R14 1861/4885MAPT 3016/4885

“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.