SCHEMBL14973305

SCHEMBL14973305

Cn1nc(-c2cccc(S(N)(=O)=O)c2)nc1-c1cnn(C)c1CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
KEAP1 Q14145 1/20 0.36
PTGS2 P35354 4/20 0.36
PTGS1 P23219 3/20 0.36
CYP2C9 P11712 1/20 0.35
TDP2 O95551 1/20 0.35
PDPK1 O15530 4/20 0.35
LRRK2 Q5S007 2/20 0.35
PDE2A O00408 1/20 0.35
CA7 P43166 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
PTGES2 Q9H7Z7 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
SCHEMBL14972931 0.86 CA9 (0.48) CA12CA1CA2CA9NPC1
SCHEMBL14973303 0.86 CA12 (0.39) CA12CA2CA9KEAP1PTGS2
SCHEMBL10060160 0.84 CA9 (0.47) CA12CA1CA2CA9NPC1
SCHEMBL10058483 0.82 CA1 (0.47) CA1CA2CA9NPC1RAB9A
SCHEMBL10060112 0.82 ADRB2 (0.36) TRPV1CA12CA1CA2CA9
SCHEMBL10060115 0.79 CA12 (0.39) CA12CA2CA9KEAP1PTGS2
SCHEMBL10060158 0.78 NTRK1 (0.42) TRPV1CA12CA1CA2CA9
SCHEMBL14973028 0.78 S1PR1 (0.41) CA12CA1CA2CA9NPC1
SCHEMBL14973250 0.77 CA9 (0.47) CA12CA1CA2CA9NPC1
SCHEMBL14973193 0.76 CA9 (0.46) CA12CA1CA2CA9NPC1

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 TRPV1 88/4885CA12 4096/4885CA1 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.