SCHEMBL3604101

SCHEMBL3604101

CC(=O)Nc1cccc2oc(C(=O)O)c(C)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.56
MMP2 P08253 1/20 0.50
MMP13 P45452 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
GPR35 Q9HC97 1/20 0.44
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAOA P21397 1/20 0.42
MCL1 Q07820 3/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3621352 0.84 EDNRA (0.59) EDNRAMMP2MMP13NPC1RAB9A
SCHEMBL3609238 0.84 EDNRA (0.52) EDNRAMMP2MMP13SMN1; SMN2NPC1
SCHEMBL3617003 0.84 EDNRA (0.52) EDNRAMMP2MMP13SMN1; SMN2NPC1
SCHEMBL3622035 0.84 EDNRA (0.52) EDNRASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3609980 0.82 NPC1 (0.65) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL3612134 0.82 EDNRA (0.50) EDNRASMN1; SMN2NPC1RAB9ATSHR
SCHEMBL3621886 0.81 EDNRA (0.52) EDNRAMMP2MMP13SMN1; SMN2NPC1
SCHEMBL3603996 0.81 EDNRA (0.52) EDNRAMMP2MMP13NPC1RAB9A
SCHEMBL27611996 0.80 EDNRA (0.51) EDNRAMMP2MMP13NPC1RAB9A
SCHEMBL3614760 0.79 EDNRA (0.54) EDNRAMMP2MMP13NPC1RAB9A

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.