SCHEMBL3607335

SCHEMBL3607335

CCOC(=O)COc1cccc2oc(C(=O)O)c(C)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.65
KDM4E B2RXH2 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HSD17B10 Q99714 2/20 0.55
NMT2 O60551 9/20 0.53
NMT1 P30419 9/20 0.53
ADRB2 P07550 5/20 0.52
ADRB1 P08588 4/20 0.52
ADRB3 P13945 4/20 0.52
MAPT P10636 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL3617976 0.88 EDNRA (0.68) EDNRAKDM4ENPC1RAB9AHSD17B10
SCHEMBL3612478 0.88 EDNRA (0.73) EDNRAKDM4ENPC1RAB9AHSD17B10
SCHEMBL3618241 0.85 EDNRA (0.65) EDNRAKDM4ENPC1RAB9AHSD17B10
SCHEMBL3615510 0.84 NMT2 (0.59) EDNRAKDM4ENPC1RAB9AHSD17B10
SCHEMBL3603130 0.83 EDNRA (0.70) EDNRAKDM4ENPC1RAB9AHSD17B10
SCHEMBL10741778 0.80 NPC1 (0.73) EDNRAKDM4ENPC1RAB9AHSD17B10
SCHEMBL9754504 0.79 KDM4E (0.51) KDM4ENPC1RAB9AHSD17B10ADRB2
SCHEMBL3609306 0.79 NPC1 (0.76) EDNRAKDM4ENPC1RAB9AHSD17B10
SCHEMBL6869191 0.78 EDNRA (0.67) EDNRAKDM4ENPC1RAB9AHSD17B10
SCHEMBL3616780 0.78 EDNRA (1.00) EDNRAKDM4ENPC1RAB9AHSD17B10

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 3365/4885KDM4E 1421/4885NPC1 2605/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC EDNRA 3365/4885KDM4E 1421/4885NPC1 2605/4885

“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.