SCHEMBL3609587

SCHEMBL3609587

CCc1ccc2oc(C(=O)O)c(C)c2c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.55
MMP2 P08253 3/20 0.49
MMP13 P45452 3/20 0.49
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP8 P22894 1/20 0.49
MMP14 P50281 1/20 0.49
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
MCL1 Q07820 2/20 0.42
HPGD P15428 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL3622124 0.86 RAB9A (0.57) MMP2MMP13MMP1MMP3MMP7
SCHEMBL3614759 0.85 MMP2 (0.54) EDNRAMMP2MMP13MMP1MMP3
SCHEMBL10741786 0.83 KDM4E (0.46) EDNRAMMP2MMP13MMP1MMP3
SCHEMBL3613923 0.83 EDNRA (0.59) EDNRAMMP2MMP13MMP1MMP3
SCHEMBL10743811 0.81 EDNRA (0.49) EDNRAMMP2MMP13MMP1MMP3
SCHEMBL10738961 0.81 KDM4E (0.44) EDNRAMMP2MMP13MMP1MMP3
SCHEMBL10742506 0.81 KDM4E (0.44) EDNRAMMP2MMP13MMP1MMP3
SCHEMBL3619348 0.81 EDNRA (0.64) EDNRAMMP2MMP13KDM4EHPGD
SCHEMBL3609574 0.81 EDNRA (0.45) EDNRAMMP2MMP13MMP1MMP3
SCHEMBL3619507 0.81 EDNRA (0.56) EDNRAMMP2MMP13MMP1MMP3

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.