SCHEMBL3609574

SCHEMBL3609574

COc1c(COC(=O)C(F)(F)F)ccc2oc(C(=O)O)c(C)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.45
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MMP2 P08253 2/20 0.37
MMP13 P45452 2/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MCL1 Q07820 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HPGD P15428 2/20 0.34
KLK7 P49862 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3609587 0.81 EDNRA (0.55) EDNRAKDM4EALDH1A1MMP2MMP13
SCHEMBL28659748 0.79 KMT2A (0.35) KDM4EALDH1A1NPC1HDAC4HDAC6
SCHEMBL3613923 0.74 EDNRA (0.59) EDNRAKDM4EALDH1A1MMP2MMP13
SCHEMBL3613925 0.72 EDNRA (0.56) EDNRAKDM4EALDH1A1MMP2MMP13
SCHEMBL3619507 0.72 EDNRA (0.56) EDNRAKDM4EALDH1A1MMP2MMP13
SCHEMBL3622039 0.72 EDNRA (0.56) EDNRAKDM4EALDH1A1MMP2MMP13
SCHEMBL3622124 0.71 RAB9A (0.57) KDM4EALDH1A1MMP2MMP13MMP1
SCHEMBL3609152 0.71 EDNRA (0.55) EDNRAKDM4EALDH1A1MMP2MMP13
SCHEMBL10743811 0.70 EDNRA (0.49) EDNRAKDM4EALDH1A1MMP2MMP13
SCHEMBL3619242 0.69 EDNRA (0.52) EDNRAKDM4EALDH1A1MMP2MMP13

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-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 US disclosed
EP-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 EP disclosed
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 US disclosed
EP-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 EP disclosed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 WO disclosed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 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-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC EDNRA 3365/4885KDM4E 1421/4885ALDH1A1 634/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC EDNRA 3365/4885KDM4E 1421/4885ALDH1A1 634/4885

“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.