SCHEMBL4098331

SCHEMBL4098331

Cn1cnc2c(=O)n(-c3ccc(C#N)cc3)c(S(C)(=O)=O)nc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
CTSS P25774 5/20 0.35
TDP2 O95551 3/20 0.35
ALDH1A2 O94788 1/20 0.34
ALDH1A3 P47895 1/20 0.34
CYP11B2 P19099 4/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
TRPA1 O75762 1/20 0.33
USP14 P54578 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PDE10A Q9Y233 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CTSK P43235 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
SCHEMBL1997999 0.82 TRPV1 (0.37) TRPV1CTSSTDP2ALDH1A2ALDH1A3
SCHEMBL4093348 0.76 CTSS (0.39) CTSSCTSK
SCHEMBL4430107 0.76 CTSS (0.37) TRPV1CTSSTDP2ALDH1A2ALDH1A3
SCHEMBL5438324 0.75 ALDH1A2 (0.38) CTSSALDH1A2ALDH1A3CTSK
SCHEMBL2235680 0.75 CTSS (0.36) TRPV1CTSSTDP2ALDH1A2ALDH1A3
SCHEMBL3169031 0.74 CTSS (0.36) CTSSCYP11B2USP14CTSK
SCHEMBL4284241 0.74 PDE10A (0.37) TRPV1CTSSTDP2ALDH1A2ALDH1A3
SCHEMBL4426575 0.74 CTSS (0.36) TRPV1CTSSTDP2ALDH1A2ALDH1A3
SCHEMBL3169024 0.74 CTSS (0.36) CTSSCYP11B2USP14CTSK
SCHEMBL5428589 0.73 ALDH1A2 (0.37) TRPV1CTSSTDP2ALDH1A2ALDH1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233947-A1 2,3-Substituted fused bicyclic pyrimidin-4(3H)-ones which modulating the function of the vanilloid -1 receptor (VR1) MERCK SHARP & DOHME LTD. (GB) 2009-09-17 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-20090233947-A1 2,3-Substituted fused bicyclic pyrimidin-4(3H)-ones which modulating the function of the vanilloid -1 receptor (VR1) TRPV1, TRPV2, TRPV3 TRPV1 1/4885CTSS 4006/4885TDP2 4012/4885

“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.