SCHEMBL14973154

SCHEMBL14973154

COc1ccc(-n2cc(-c3c(-c4nc(-c5ccc(S(N)(=O)=O)cc5)no4)cnn3C)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.47
CA2 P00918 15/20 0.46
CA9 Q16790 15/20 0.46
CA1 P00915 11/20 0.46
PTGS2 P35354 2/20 0.46
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
S1PR1 P21453 1/20 0.43
CA4 P22748 1/20 0.43
CA12 O43570 10/20 0.42

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
SCHEMBL14973244 0.90 CA9 (0.48) MAPKAPK2CA2CA9CA1PTGS2
SCHEMBL14972981 0.89 S1PR1 (0.45) CA2CA9CA1PTGS2S1PR1
SCHEMBL14973242 0.89 CA2 (0.43) CA2CA9CA1PTGS2CA5A
SCHEMBL14973291 0.87 PTGS2 (0.45) CA2CA9CA1PTGS2S1PR1
SCHEMBL14973087 0.79 CA9 (0.48) CA2CA9CA1S1PR1CA4
SCHEMBL14973294 0.79 CA9 (0.48) CA2CA9CA1S1PR1CA4
SCHEMBL14973246 0.78 CA2 (0.49) CA2CA9CA1PTGS2S1PR1
SCHEMBL14972984 0.77 CA9 (0.46) CA2CA9CA1PTGS2S1PR1
SCHEMBL14973117 0.75 MAP4K4 (0.40) S1PR1
SCHEMBL14973379 0.74 S1PR1 (0.48) CA2CA9CA1PTGS2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 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-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE GRIN2C, GRIN2B, GRIN3A MAPKAPK2 863/4885CA2 2244/4885CA9 4504/4885

“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.