SCHEMBL14973208

SCHEMBL14973208

Cn1ncc(-c2cc(-c3ccc(S(N)(=O)=O)cc3)on2)c1COc1ccc(F)cn1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.52
CXCR1 P25024 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
GSK3B P49841 1/20 0.34
ATM Q13315 1/20 0.34
ATR Q13535 1/20 0.34
CHRNA7 P36544 3/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL14973026 0.91 PTGS2 (0.40) PTGS2CYP11B1CYP11B2CA1CA2
SCHEMBL14973191 0.83 S1PR1 (0.44) CA1CA2CA12CA9
SCHEMBL14973021 0.83 CA9 (0.50) CA1CA2CHRNA7CA12CA9
SCHEMBL14973209 0.81 CA2 (0.36) PTGS2CA1CA2CA12CA9
SCHEMBL14973206 0.77 CA4 (0.49) CA1CA2CA12CA9
SCHEMBL14973276 0.77 CA9 (0.46) CA1CA2CA12CA9
SCHEMBL10058993 0.76 MAOA (0.39) CA1CA2CA12CA9
SCHEMBL14973314 0.75 PTGS2 (0.41) PTGS2
SCHEMBL14973325 0.75 MAOB (0.53) CA1CA2CA9
SCHEMBL14973225 0.75 MAOA (0.37) CA1CA2CA12CA9

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 PTGS2 1113/4885CXCR1 2207/4885CYP11B1 537/4885

“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.