SCHEMBL16185262

SCHEMBL16185262

COc1ccc(CN(c2ccncn2)S(=O)(=O)c2ccc(F)c(C#N)c2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 11/20 0.39
SCN9A Q15858 6/20 0.39
SCN5A Q14524 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
AVPR2 P30518 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33

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
SCHEMBL15465532 0.91 SCN9A (0.42) SLC22A12SCN9ASCN5A
SCHEMBL16185279 0.88 SLC22A12 (0.41) SLC22A12SCN9AALDH1A1AVPR2OXTR
SCHEMBL16185269 0.87 SLC22A12 (0.49) SLC22A12
SCHEMBL19627751 0.87 PSEN1 (0.37) SCN9AALDH1A1
SCHEMBL16185267 0.87 SLC22A12 (0.41) SLC22A12SCN9APTGDR2AVPR2OXTR
SCHEMBL16185280 0.86 SLC22A12 (0.39) SLC22A12PTGDR2ALDH1A1AVPR2OXTR
SCHEMBL20252640 0.85 MMP9 (0.36) SCN9ASCN5AALDH1A1
SCHEMBL16185265 0.84 SLC22A12 (0.39) SLC22A12PTGDR2ALDH1A1AVPR2OXTR
SCHEMBL16185266 0.83 SLC22A12 (0.46) SLC22A12
SCHEMBL18352242 0.83 SLC22A12 (0.39) SLC22A12SCN9ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150259327-A1 Chemical Compounds PFIZER LIMITED (GB) 2015-09-17 US disclosed
US-9067922-B2 Chemical compounds PFIZER LIMITED (GB) 2015-06-30 US disclosed
US-20140315878-A1 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2014-10-23 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 (2 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-20150259327-A1 Chemical Compounds SULT2A1, SULT1A1, SULT1E1 SLC22A12 1128/4885SCN9A 946/4885SCN5A 379/4885
US-20140315878-A1 CHEMICAL COMPOUNDS SULT2A1, SULT1A1, SULT1E1 SLC22A12 1128/4885SCN9A 946/4885SCN5A 379/4885

“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.