SCHEMBL6539384

SCHEMBL6539384

COc1ccc(-c2nc(C(=O)N(C)OC)oc2-c2ccc(OCCO[Si](C)(C)C(C)(C)C)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.39
TAAR1 Q96RJ0 1/20 0.36
OXTR P30559 4/20 0.35
RCE1 Q9Y256 1/20 0.35
HDAC6 Q9UBN7 2/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
DGAT1 O75907 1/20 0.31
GABRA1 P14867 1/20 0.31
HDAC3 O15379 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
GPBAR1 Q8TDU6 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
SCHEMBL6232912 0.81 MEN1 (0.48) PPARDOXTR
SCHEMBL6538971 0.81 PPARD (0.40) PPARDTAAR1OXTRRCE1HDAC6
SCHEMBL6232652 0.77 TAAR1 (0.41) PPARDTAAR1OXTRRCE1HDAC6
SCHEMBL6235990 0.76 PPARD (0.43) PPARDTAAR1RCE1HDAC6MKNK1
SCHEMBL6538951 0.75 PPARD (0.38) PPARD
Hydrochloric Acid SCHEMBL6540242 0.75 OXTR (0.40) PPARDTAAR1OXTRRCE1HDAC6
SCHEMBL6539048 0.75 PPARD (0.40) PPARDTAAR1OXTRRCE1HDAC6
SCHEMBL6539397 0.75 NR4A2 (0.44) PPARDGPBAR1
SCHEMBL6208169 0.73 PPARD (0.42) PPARDTAAR1OXTRRCE1HDAC6
SCHEMBL6256472 0.73 PPARD (0.41) PPARDTAAR1OXTRRCE1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 PPARD 1747/4885TAAR1 1264/4885OXTR 1799/4885

“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.