SCHEMBL14973302

SCHEMBL14973302

Cn1ncc(-c2cn(-c3cccc(S(N)(=O)=O)c3)cn2)c1COc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA1 P00915 2/20 0.36
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
CYP17A1 P05093 2/20 0.35
PTGS2 P35354 3/20 0.33
PTGS1 P23219 1/20 0.33
TTK P33981 1/20 0.32
MAPK8 P45983 1/20 0.32
PDE2A O00408 1/20 0.32
TEAD1 P28347 1/20 0.32
YAP1 P46937 1/20 0.32
AR P10275 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
SCHEMBL14973286 0.91 CA12 (0.51) CA12CA2CA9CA1TLR2
SCHEMBL14973285 0.84 MRGPRX4 (0.34) CA12CA2CA9PDE2AAR
SCHEMBL14973212 0.79 CA9 (0.37) CA12CA2CA9CA1TTK
SCHEMBL10060115 0.78 CA12 (0.39) CA12CA2CA9PTGS2PTGS1
SCHEMBL14973303 0.78 CA12 (0.39) CA12CA2CA9PTGS2PTGS1
SCHEMBL14973125 0.78 CA2 (0.49) CA12CA2CA9CA1
SCHEMBL10058991 0.77 PTGS2 (0.40) CA12CA2CA9CA1TLR2
SCHEMBL14973315 0.77 CA9 (0.46) CA12CA2CA9CA1
SCHEMBL14973104 0.77 CA9 (0.46) CA12CA2CA9CA1
SCHEMBL14938218 0.76 CA9 (0.43) CA12CA2CA9CA1AR

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 CA12 4096/4885CA2 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.