SCHEMBL3611550

SCHEMBL3611550

Cc1c(C(=O)O)oc2cccc(N(C)C)c12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.59
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
MCL1 Q07820 4/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
GPR35 Q9HC97 1/20 0.41
GAA P10253 3/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3621889 0.86 EDNRA (0.55) EDNRAMMP2MMP13MCL1NPC1
SCHEMBL3613952 0.84 EDNRA (0.52) EDNRAMMP2MMP13MCL1NPC1
SCHEMBL3617473 0.82 EDNRA (0.50) EDNRAMMP2MMP13MCL1NPC1
SCHEMBL3618058 0.81 RAB9A (0.68) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL3612485 0.80 EDNRA (0.66) EDNRAMMP2MMP13MCL1NPC1
SCHEMBL3608519 0.78 EDNRA (0.56) EDNRAMCL1NPC1RAB9AMAPT
SCHEMBL3611742 0.78 MAPT (0.65) EDNRAMCL1NPC1RAB9AMAPT
SCHEMBL27870689 0.77 EDNRA (0.55) EDNRAMMP2MMP13MCL1NPC1
SCHEMBL23532015 0.77 EDNRA (0.62) EDNRAMCL1NPC1RAB9AMAPT
SCHEMBL27593866 0.77 EDNRA (0.62) EDNRAMMP2MMP13MCL1NPC1

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 7 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
CN-1623537-A Biaryl sulfonamides and its using method WYETH CORP (US) 2005-06-08 CN 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.