SCHEMBL16185265

SCHEMBL16185265

COc1ccc(CN(c2cccnn2)S(=O)(=O)c2ccc(F)c(C#N)c2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 8/20 0.39
MMP9 P14780 4/20 0.35
MMP13 P45452 4/20 0.35
MMP2 P08253 2/20 0.35
MMP8 P22894 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.33
AVPR2 P30518 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
MMP1 P03956 2/20 0.33
ADAM17 P78536 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
STAT3 P40763 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 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
SCHEMBL16177637 0.91 SLC22A12 (0.40) SLC22A12MMP9MMP13MMP2MMP8
SCHEMBL16185267 0.87 SLC22A12 (0.41) SLC22A12MMP9MMP13MMP2MMP8
SCHEMBL16185280 0.84 SLC22A12 (0.39) SLC22A12PTGDR2AVPR2OXTRAVPR1A
SCHEMBL16185262 0.84 SLC22A12 (0.39) SLC22A12PTGDR2AVPR2OXTRAVPR1A
SCHEMBL16185269 0.83 SLC22A12 (0.49) SLC22A12
SCHEMBL16185279 0.83 SLC22A12 (0.41) SLC22A12AVPR2OXTRAVPR1AALDH1A1
SCHEMBL16178082 0.81 SLC22A12 (0.40) SLC22A12PTGDR2HSP90AA1HSP90AB1ALDH1A1
SCHEMBL16185266 0.81 SLC22A12 (0.46) SLC22A12
SCHEMBL18352242 0.81 SLC22A12 (0.39) SLC22A12
SCHEMBL9923641 0.79 SCN9A (0.42) SLC22A12AVPR2OXTRAVPR1A

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 1128/4885MMP9 4398/4885MMP13 4588/4885
US-20140315878-A1 CHEMICAL COMPOUNDS SULT2A1, SULT1A1, SULT1E1 SLC22A12 1128/4885MMP9 4398/4885MMP13 4588/4885

“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.