SCHEMBL14938153

SCHEMBL14938153

Cn1ncc(C#Cc2ccc(S(N)(=O)=O)cc2)c1-c1nc(-c2ccc(C(F)(F)F)cc2)no1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 11/20 0.47
CA2 P00918 10/20 0.47
CA12 O43570 8/20 0.47
CA1 P00915 8/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 1/20 0.46
RAB9A P51151 1/20 0.46
S1PR1 P21453 5/20 0.45
POLB P06746 1/20 0.42
KIF11 P52732 1/20 0.41
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL14938021 0.90 KDM4E (0.43) CA9CA2CA12CA1KDM4E
SCHEMBL14937935 0.86 KIF11 (0.50) CA9CA2CA12CA1KIF11
SCHEMBL14938035 0.85 MAOA (0.47) CA9CA2CA1KIF11
SCHEMBL14938143 0.84 PTGS2 (0.46) CA9CA2CA12CA1S1PR1
SCHEMBL14937945 0.78 PTGS2 (0.42) CA9CA2CA12CA1KIF11
SCHEMBL14937664 0.78 PTGS2 (0.46) CA9CA2CA12CA1KIF11
SCHEMBL14938001 0.78 PTGS2 (0.41) CA9CA2CA12CA1KIF11
SCHEMBL14938076 0.77 PTGS2 (0.44)
SCHEMBL14973291 0.76 PTGS2 (0.45) CA9CA2CA12CA1KDM4E
SCHEMBL14938170 0.75 CA9 (0.44) CA9CA2CA12CA1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642626-B2 Ethinyl-pyrazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-02-04 US disclosed
US-8642626-B2 Ethinyl-pyrazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-02-04 US disclosed
US-8642626-B2 Ethinyl-pyrazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-02-04 US disclosed
EP-2599775-A1 ETHINYL-PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-06-05 EP disclosed
US-20130123500-A1 ETHINYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2013-05-16 US disclosed
US-20130123500-A1 ETHINYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2013-05-16 US disclosed
US-20130123500-A1 ETHINYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2013-05-16 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-20130123500-A1 ETHINYL-PYRAZOLE DERIVATIVE GABRE, GRIN3A, GRIK5 CA9 4467/4885CA2 3016/4885CA12 4440/4885

“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.