SCHEMBL3618936

SCHEMBL3618936

Cc1c(C(=O)O)oc2cccc(C#CCO)c12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.52
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 1/20 0.41
MCL1 Q07820 4/20 0.39
KDM4E B2RXH2 3/20 0.38
MMP2 P08253 3/20 0.38
MMP13 P45452 3/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR35 Q9HC97 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP9 P14780 1/20 0.34
MMP14 P50281 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
SCHEMBL3616960 0.85 EDNRA (0.49) EDNRANPC1RAB9AMAPTMCL1
SCHEMBL3620007 0.85 EDNRA (0.56) EDNRANPC1RAB9AMAPTMCL1
SCHEMBL3612313 0.85 EDNRA (0.49) EDNRANPC1RAB9AMAPTMCL1
SCHEMBL3615767 0.84 RAB9A (0.62) NPC1RAB9AMAPTKDM4EHSD17B10
SCHEMBL3615275 0.84 EDNRA (0.56) EDNRANPC1RAB9AMAPTMCL1
SCHEMBL3610334 0.82 EDNRA (0.57) EDNRANPC1RAB9AMAPTMCL1
SCHEMBL3612689 0.81 EDNRA (0.52) EDNRANPC1RAB9AMAPTMCL1
SCHEMBL3609893 0.80 EDNRA (0.57) EDNRANPC1RAB9AMAPTMCL1
SCHEMBL3617054 0.78 EDNRA (0.50) EDNRANPC1RAB9AMAPTMCL1
SCHEMBL27593837 0.75 EDNRA (0.59) EDNRANPC1RAB9AMAPTMCL1

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 3365/4885NPC1 2605/4885RAB9A 3864/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC EDNRA 3365/4885NPC1 2605/4885RAB9A 3864/4885

“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.