SCHEMBL6430736

SCHEMBL6430736

CN(C)N1CS/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O.CNN1CS/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.45
PTGS1 P23219 8/20 0.45
ALOX5 P09917 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
EEF2K O00418 1/20 0.39
SRC P12931 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6430738 1.00 PTGS2 (0.45) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL2745322 0.91 PTGS2 (0.52) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL2746044 0.91 PTGS2 (0.52) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL2746042 0.91 PTGS2 (0.52) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL2745319 0.91 PTGS2 (0.52) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL8991929 0.84 PTGS2 (0.45) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL8894724 0.84 PTGS2 (0.45) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL8933401 0.81 PTGS2 (0.49) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL8895650 0.81 PTGS2 (0.49) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL7700021 0.80 PTGS2 (0.48) PTGS2PTGS1ALOX5CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6746678-B1 Method of treating neurological diseases and etiologically related symptomology using carbonyl trapping agents in combination with medicaments SECANT PHARMA, LLC 2004-06-08 US claimed
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases SECANT PHARMA, LLC 2005-04-28 US 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-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases PCCA, HMGB1, PTGES PTGS2 33/4885PTGS1 11/4885ALOX5 49/4885

“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.