SCHEMBL6167182

SCHEMBL6167182

COc1ccc(C(C[N+](=O)[O-])SC)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
CYP2C19 P33261 1/20 0.58
MAPT P10636 6/20 0.49
HTT P42858 4/20 0.47
LMNA P02545 4/20 0.47
GAA P10253 4/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SERPINH1 P50454 1/20 0.45
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
VCP P55072 1/20 0.41
ACHE P22303 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP19A1 P11511 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
SCHEMBL27143021 0.81 ALDH1A1 (0.60) ALDH1A1CYP2C19MAPTHTTLMNA
SCHEMBL11523956 0.81 ALDH1A1 (0.51) ALDH1A1CYP2C19MAPTHTTLMNA
SCHEMBL5525324 0.80 ALDH1A1 (0.63) ALDH1A1CYP2C19MAPTHTTLMNA
SCHEMBL5518745 0.80 ALDH1A1 (0.63) ALDH1A1CYP2C19MAPTHTTLMNA
SCHEMBL6165015 0.78 PPARG (0.46) ALDH1A1CYP2C19MAPTLMNAGAA
SCHEMBL31070257 0.75 ALDH1A1 (0.54) ALDH1A1CYP2C19MAPTHTTLMNA
SCHEMBL11527553 0.75 ALDH1A1 (0.45) ALDH1A1CYP2C19MAPTHTTLMNA
SCHEMBL10759367 0.72 CYP2C19 (0.50) ALDH1A1CYP2C19MAPTLMNAMAPK1
SCHEMBL13780003 0.72 ALDH1A1 (0.59) ALDH1A1CYP2C19MAPTHTTLMNA
Water SCHEMBL7268737 0.71 ALDH1A1 (0.49) ALDH1A1CYP2C19MAPTLMNAMAPK1

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-20050187264-A1 Phosphodiesterase iv inhibitor containing pyridylacrylamide derivative TSUMURA & CO. (JP) 2005-08-25 US disclosed
EP-1495757-A1 PHOSPHODIESTERASE IV INHIBITOR CONTAINING PYRIDYLACRYLAMIDE DERIVATIVE TSUMURA & CO. (JP) 2005-01-12 EP disclosed
US-6313153-B1 ADMINISTERING PYRIDYLACRYLAMIDE COMPOUND FOR THERAPY OF NEPHRITIS TSUMURA & CO. (JP) 2001-11-06 US disclosed
EP-1000935-A1 PYRIDYLACRYLAMIDE DERIVATIVES AND NEPHRITIS REMEDIES AND TGF-$g(b) INHIBITORS CONTAINING THE SAME TSUMURA & CO. (JP) 2000-05-17 EP 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-20050187264-A1 Phosphodiesterase iv inhibitor containing pyridylacrylamide derivative PDE3B, PDE3A, PDE2A ALDH1A1 245/4885CYP2C19 299/4885MAPT 4734/4885

“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.