SCHEMBL4692975

SCHEMBL4692975

O=C(NO)C1c2ccccc2CCN1S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 14/20 0.63
▸ MMP9 P14780 13/20 0.56
▸ MMP2 P08253 12/20 0.56
▸ MMP14 P50281 12/20 0.56
▸ MMP12 P39900 11/20 0.56
▸ MMP15 P51511 10/20 0.56
▸ MMP16 P51512 10/20 0.56
▸ MMP26 Q9NRE1 10/20 0.56
▸ MMP7 P09237 9/20 0.56
▸ MMP3 P08254 4/20 0.50
▸ MMP8 P22894 3/20 0.50
▸ MMP13 P45452 3/20 0.47

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
SCHEMBL14427175 0.90 MMP1 (0.63) MMP1MMP9MMP2MMP14MMP12
SCHEMBL14427278 0.90 MMP1 (0.56) MMP1MMP9MMP2MMP14MMP12
SCHEMBL12955747 0.89 MMP1 (0.66) MMP1MMP9MMP2MMP14MMP12
SCHEMBL14427230 0.89 MMP1 (0.66) MMP1MMP9MMP2MMP14MMP12
SCHEMBL14427228 0.89 MMP1 (0.66) MMP1MMP9MMP2MMP14MMP12
SCHEMBL14427214 0.88 MMP1 (0.68) MMP1MMP9MMP2MMP14MMP12
SCHEMBL14427250 0.87 MMP1 (0.72) MMP1MMP9MMP2MMP14MMP12
SCHEMBL14427189 0.87 MMP1 (0.69) MMP1MMP9MMP2MMP14MMP12
SCHEMBL14427180 0.87 MMP1 (0.66) MMP1MMP9MMP2MMP14MMP12
SCHEMBL8274070 0.87 MMP1 (0.72) MMP1MMP9MMP2MMP14MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763515-B1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-12 — — EP 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
EP-1763515-A1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2007-03-21 — — EP disclosed
WO-2006002764-A1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-01-12 — — WO 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 MMP1 4018/4885MMP9 3653/4885MMP2 2875/4885

“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.

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