SCHEMBL6539490

SCHEMBL6539490

COc1ccc(-c2nc(C3CC3)oc2-c2ccc(OCCOS(C)(=O)=O)cc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.38
POLB P06746 2/20 0.36
TP53 P04637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
RCE1 Q9Y256 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
HCRTR2 O43614 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TNF P01375 1/20 0.33
MAPT P10636 1/20 0.33
GABRA1 P14867 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL6539395 0.89 POLB (0.41) PPARDPOLBTP53CA2CA12
SCHEMBL6540113 0.87 TP53 (0.39) PPARDPOLBTP53TAAR1RCE1
SCHEMBL6539329 0.86 PPARD (0.41) PPARDTAAR1RCE1GABRA1FFAR4
SCHEMBL6538764 0.85 PPARD (0.39) PPARDPOLBTP53TAAR1RCE1
SCHEMBL6539406 0.83 PPARD (0.37) PPARDTAAR1CA2CA1RCE1
SCHEMBL6539135 0.82 PPARD (0.39) PPARDTAAR1CA2CA1RCE1
SCHEMBL6208509 0.82 PPARD (0.42) PPARDTAAR1CA2CA1RCE1
SCHEMBL6258240 0.81 PPARD (0.40) PPARDTAAR1RCE1HCRTR2GABRA1
SCHEMBL6539086 0.81 MEN1 (0.45) PPARDPOLBMAPTFFAR4
SCHEMBL6539113 0.79 RAB9A (0.48) POLBNPC1RAB9A

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 1747/4885POLB 2793/4885TP53 4743/4885

“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.