SCHEMBL5482429

SCHEMBL5482429

O=S(=O)(O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 17/20 0.54
MMP2 P08253 13/20 0.54
MMP14 P50281 7/20 0.54
MMP13 P45452 5/20 0.50
MMP3 P08254 5/20 0.50
MMP1 P03956 8/20 0.49
MMP8 P22894 5/20 0.48
NR3C1 P04150 1/20 0.48
MMP7 P09237 1/20 0.46

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
SCHEMBL3176978 0.94 FFAR4 (0.49) MMP9MMP2MMP14MMP1
SCHEMBL14875138 0.92 FFAR4 (0.47) MMP9MMP2MMP14MMP1
Hydrochloric Acid SCHEMBL4007768 0.92 FFAR4 (0.47) MMP9MMP2MMP14MMP1
SCHEMBL9779140 0.85 MMP9 (0.56) MMP9MMP2MMP14MMP13MMP3
SCHEMBL6090901 0.84 ALDH1A1 (0.58)
SCHEMBL9249636 0.84 ALDH1A1 (0.58)
SCHEMBL28521152 0.82 ALDH1A1 (0.56)
SCHEMBL3310741 0.81 MMP9 (0.54) MMP9MMP2MMP14MMP13MMP3
SCHEMBL6925883 0.81 PTGS2 (0.60) MMP9MMP2MMP14MMP13MMP3
SCHEMBL30868599 0.81 CA1 (0.50) MMP9MMP2MMP14MMP13MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101035764-A 4-trifluoromethoxy phenoxy benzene-4' -sulfonic acid, preparation method and application thereof in medicine SANOFI AVENTIS DEUTSCHLAND (DE) 2007-09-12 CN disclosed
US-20070155778-A1 4-Trifluoromethoxyphenoxybenzol-4-Sulfonic Acids, Method For The Production And Use Thereof In Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-05 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-20070155778-A1 4-Trifluoromethoxyphenoxybenzol-4-Sulfonic Acids, Method For The Production And Use Thereof In Medicaments CYP4X1, AFF1, BPGM MMP9 3653/4885MMP2 2875/4885MMP14 4151/4885

“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.