SCHEMBL5518192

SCHEMBL5518192

C[N+](C)(C)c1ccccc1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
CA1 P00915 8/20 0.37
CA2 P00918 8/20 0.37
MMP1 P03956 8/20 0.37
MMP2 P08253 8/20 0.37
MMP9 P14780 8/20 0.37
MMP8 P22894 8/20 0.37
MMP13 P45452 8/20 0.37
HSD11B1 P28845 1/20 0.33
NR1H2 P55055 1/20 0.33
PTPN1 P18031 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
SCHEMBL6399965 0.98 APOBEC3A (0.42) APOBEC3AAPOBEC3GCA1CA2MMP1
SCHEMBL6395821 0.90 CA2 (0.37) CA1CA2MMP1MMP2MMP9
SCHEMBL6396673 0.89 CA2 (0.38) CA1CA2MMP1MMP2MMP9
SCHEMBL547720 0.87 CA2 (0.38) CA1CA2MMP1MMP2MMP9
SCHEMBL5525260 0.80 KDM4E (0.49) CA1CA2MMP1MMP2MMP9
Biphenyl SCHEMBL1816739 0.80 PTPN1 (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL6396639 0.79 KDM4E (0.47) CA1CA2MMP1MMP2MMP9
Tetramethylammonium Ion SCHEMBL548456 0.78 CA2 (0.46) CA1CA2MMP1MMP2MMP9
Iodobenzene SCHEMBL5315922 0.78 CA2 (0.39) CA1CA2MMP1MMP2MMP9
Benzenethiol SCHEMBL29745974 0.78 CA2 (0.39) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6914092-B1 Antistatic agent BAYER AKTIENGESELLSCHAFT (DE) 2005-07-05 US claimed
US-7169333-B2 Antistatic agent BAYER AKTIENGESELLSCHAFT (DE) 2007-01-30 US disclosed
US-6914092-B1 Antistatic agent BAYER AKTIENGESELLSCHAFT (DE) 2005-07-05 US disclosed
US-6914053-B2 Adenosine A3 receptor agonists CV THERAPEUTICS, INC. (US) 2005-07-05 US disclosed
US-20040121978-A1 Adenosine A3 receptor agonists CV THERAPEUTICS, INC. 2004-06-24 US disclosed
US-20030139503-A1 Antistatic agent COVESTRO DEUTSCHLAND AG (DE) 2003-07-24 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-20040121978-A1 Adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 APOBEC3A 207/4885APOBEC3G 309/4885CA1 4025/4885

“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.