SCHEMBL15070223

SCHEMBL15070223

COc1ccc(-c2cc(-c3ccncc3)nn2-c2ccc(S(N)(=O)=O)c(CO)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 18/20 0.69
▸ PTGS1 P23219 1/20 0.56
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ CHRNA7 P36544 1/20 0.47

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
SCHEMBL8023493 0.91 PTGS2 (0.70) PTGS2PTGS1CA1CA2CA9
SCHEMBL8023566 0.90 PTGS2 (0.66) PTGS2PTGS1CA1CA2CA9
SCHEMBL8033171 0.86 PTGS2 (0.66) PTGS2PTGS1CA1CA2CA9
SCHEMBL15070230 0.85 PTGS2 (0.53) PTGS2PTGS1CA1CA2CA9
SCHEMBL8032930 0.85 PTGS2 (0.75) PTGS2CA1CA2CA9CHRNA7
SCHEMBL8035264 0.84 PTGS2 (0.65) PTGS2PTGS1CA1CA2CA9
SCHEMBL8023934 0.83 PTGS2 (0.73) PTGS2CA1CA2CA9CHRNA7
SCHEMBL8023286 0.83 PTGS2 (0.72) PTGS2CA1CA2CA9CHRNA7
SCHEMBL8033030 0.83 PTGS2 (0.72) PTGS2CA1CA2CA9CHRNA7
SCHEMBL8039325 0.83 PTGS2 (0.75) PTGS2CA1CA2CA9

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-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 — — US disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 — — 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B PTGS2 3213/4885PTGS1 2564/4885CA1 4881/4885

“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.

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