SCHEMBL3612689

SCHEMBL3612689

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.52
MCL1 Q07820 4/20 0.42
GPR35 Q9HC97 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 1/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NMT2 O60551 2/20 0.35
NMT1 P30419 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 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
SCHEMBL3615275 0.84 EDNRA (0.56) EDNRAMCL1GPR35KDM4EALDH1A1
SCHEMBL3613822 0.83 RAB9A (0.61) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL3618936 0.81 EDNRA (0.52) EDNRAMCL1GPR35KDM4EALDH1A1
SCHEMBL3610334 0.80 EDNRA (0.57) EDNRAMCL1GPR35KDM4EALDH1A1
SCHEMBL3609893 0.80 EDNRA (0.57) EDNRAMCL1GPR35KDM4EALDH1A1
SCHEMBL3617054 0.78 EDNRA (0.50) EDNRAMCL1GPR35NPC1RAB9A
SCHEMBL3620007 0.77 EDNRA (0.56) EDNRAMCL1GPR35KDM4EALDH1A1
SCHEMBL3612313 0.77 EDNRA (0.49) EDNRAMCL1GPR35KDM4EALDH1A1
SCHEMBL3616960 0.77 EDNRA (0.49) EDNRAMCL1GPR35KDM4EALDH1A1
SCHEMBL3612485 0.74 EDNRA (0.66) EDNRAMCL1GPR35KDM4EALDH1A1

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 3365/4885MCL1 1972/4885GPR35 4059/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC EDNRA 3365/4885MCL1 1972/4885GPR35 4059/4885

“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.