SCHEMBL3302250

SCHEMBL3302250

COc1ccc(Oc2ccc(S(=O)(=O)N3CCc4ccccc4C3C(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.57
MMP2 P08253 6/20 0.57
MMP9 P14780 6/20 0.57
MMP12 P39900 6/20 0.57
MMP14 P50281 6/20 0.57
MMP15 P51511 6/20 0.57
MMP16 P51512 6/20 0.57
MMP26 Q9NRE1 6/20 0.57
MMP7 P09237 5/20 0.57
TAS2R14 Q9NYV8 3/20 0.55
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
AKR1C3 P42330 1/20 0.48
MAPT P10636 2/20 0.48
MMP8 P22894 2/20 0.47
MMP3 P08254 2/20 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
SCHEMBL14427251 1.00 MMP1 (0.57) MMP1MMP2MMP9MMP12MMP14
SCHEMBL14427191 0.91 MMP1 (0.54) MMP1MMP2MMP9MMP12MMP14
SCHEMBL14427229 0.89 THRB (0.52) MMP1MMP2MMP9MMP12MMP14
SCHEMBL14427181 0.89 MMP8 (0.56) MMP1MMP2MMP9MMP12MMP14
SCHEMBL14427231 0.89 THRB (0.52) MMP1MMP2MMP9MMP12MMP14
SCHEMBL12955748 0.89 THRB (0.52) MMP1MMP2MMP9MMP12MMP14
SCHEMBL8274070 0.89 MMP1 (0.72) MMP1MMP2MMP9MMP12MMP14
SCHEMBL14427250 0.89 MMP1 (0.72) MMP1MMP2MMP9MMP12MMP14
SCHEMBL14427277 0.88 MMP1 (0.51) MMP1MMP2MMP9MMP12MMP14
SCHEMBL14427186 0.88 MMP1 (0.51) MMP1MMP2MMP9MMP12MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099663-A1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-04-22 US disclosed
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 (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-20100099663-A1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS XDH, CYP4X1, CYP4A11 MMP1 3477/4885MMP2 2230/4885MMP9 3624/4885
US-20070155778-A1 4-Trifluoromethoxyphenoxybenzol-4-Sulfonic Acids, Method For The Production And Use Thereof In Medicaments CYP4X1, AFF1, BPGM MMP1 4018/4885MMP2 2875/4885MMP9 3653/4885

“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.