SCHEMBL14973244

SCHEMBL14973244

COc1ccc(-n2cc(-c3c(-c4nc(-c5cccc(S(N)(=O)=O)c5)no4)cnn3C)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 10/20 0.48
CA2 P00918 10/20 0.48
CA1 P00915 9/20 0.46
CA12 O43570 6/20 0.46
CA4 P22748 1/20 0.46
S1PR1 P21453 1/20 0.41
CA13 Q8N1Q1 2/20 0.40
MAPKAPK2 P49137 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
CA5A P35218 1/20 0.37
PTGS2 P35354 1/20 0.37
CA5B Q9Y2D0 1/20 0.37

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
SCHEMBL14973294 0.90 CA9 (0.48) CA9CA2CA1CA12CA4
SCHEMBL14973087 0.90 CA9 (0.48) CA9CA2CA1CA12CA4
SCHEMBL14973154 0.90 MAPKAPK2 (0.47) CA9CA2CA1CA12CA4
SCHEMBL14972984 0.88 CA9 (0.46) CA9CA2CA1CA12CA4
SCHEMBL14984859 0.80 CA9 (0.51) CA9CA2CA1CA12CA4
SCHEMBL14973242 0.79 CA2 (0.43) CA9CA2CA1CA12CA4
SCHEMBL14972981 0.79 S1PR1 (0.45) CA9CA2CA1CA12CA4
SCHEMBL14973291 0.77 PTGS2 (0.45) CA9CA2CA1CA12S1PR1
SCHEMBL14973230 0.76 CA9 (0.55) CA9CA2CA1CA12CA4
SCHEMBL14972923 0.76 CA9 (0.60) CA9CA2CA1CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2604602-A1 HETEROARYL-PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-06-19 EP 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
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 CA9 4504/4885CA2 2244/4885CA1 1915/4885

“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.