SCHEMBL3609302

SCHEMBL3609302

Cc1c(C(=O)O)oc2ccc(Br)c(OC(C)C)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.46
MMP2 P08253 6/20 0.44
MMP13 P45452 6/20 0.44
MMP3 P08254 4/20 0.44
MMP7 P09237 4/20 0.44
MMP8 P22894 4/20 0.44
MMP14 P50281 4/20 0.44
ADAMTS4 O75173 3/20 0.44
MMP1 P03956 3/20 0.44
ADAM17 P78536 1/20 0.44
MCL1 Q07820 3/20 0.43
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GPR35 Q9HC97 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3609992 0.84 RAB9A (0.52) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL3619507 0.84 EDNRA (0.56) EDNRAMMP2MMP13MMP3MMP7
SCHEMBL3606940 0.83 MMP2 (0.53) EDNRAMMP2MMP13MMP3MMP7
SCHEMBL3614759 0.82 MMP2 (0.54) EDNRAMMP2MMP13MMP3MMP7
SCHEMBL27593873 0.76 EDNRA (0.49) EDNRAMCL1KDM4EALDH1A1HPGD
SCHEMBL3613401 0.76 MMP2 (0.38) MMP2MMP13MMP3MMP7MMP8
SCHEMBL3618298 0.74 EDNRA (0.71) EDNRAMMP2MMP13MCL1KDM4E
SCHEMBL3617199 0.73 MMP2 (0.36) MMP2MMP13MMP3MMP7MMP8
SCHEMBL3613923 0.72 EDNRA (0.59) EDNRAMMP2MMP13MMP3MMP7
SCHEMBL3609152 0.71 EDNRA (0.55) EDNRAMMP2MMP13MMP3MMP7

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 3365/4885MMP2 5/4885MMP13 13/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC EDNRA 3365/4885MMP2 5/4885MMP13 13/4885

“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.