SCHEMBL14973104

SCHEMBL14973104

Cn1ncc(-c2nc(-c3cccc(S(N)(=O)=O)c3)no2)c1COc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 8/20 0.46
CA2 P00918 7/20 0.46
CA12 O43570 6/20 0.46
CA1 P00915 5/20 0.46
CA4 P22748 1/20 0.44
NR1H4 Q96RI1 1/20 0.41
S1PR1 P21453 2/20 0.41
POLB P06746 1/20 0.40
FFAR1 O14842 1/20 0.40
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
STAT3 P40763 1/20 0.38
MAPT P10636 1/20 0.38
ADORA2B P29275 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL14973315 0.95 CA9 (0.46) CA9CA2CA12CA1CA4
SCHEMBL14973179 0.93 CA9 (0.46) CA9CA2CA12CA1CA4
SCHEMBL14973289 0.92 STAT3 (0.41) NR1H4S1PR1POLBFFAR1STAT3
SCHEMBL14973301 0.91 CA9 (0.46) CA9CA2CA12CA1CA4
SCHEMBL14973033 0.91 CA4 (0.50) CA9CA2CA12CA1CA4
SCHEMBL14973059 0.90 CA9 (0.45) CA9CA2CA12CA1CA4
SCHEMBL14973072 0.90 CA9 (0.49) CA9CA2CA12CA1CA4
SCHEMBL14984859 0.90 CA9 (0.51) CA9CA2CA12CA1CA4
SCHEMBL14973263 0.90 CA9 (0.51) CA9CA2CA12CA1CA4
SCHEMBL14973232 0.90 S1PR1 (0.45) CA9CA2CA12CA1S1PR1

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 2244/4885CA12 4096/4885

“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.