SCHEMBL3608940

SCHEMBL3608940

COc1cc(OC)c2c(C)c(C(=O)O)oc2c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.55
MKNK2 Q9HBH9 3/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 4/20 0.43
MCL1 Q07820 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.39
GPR35 Q9HC97 2/20 0.38
PIM1 P11309 1/20 0.37
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA3 P07451 1/20 0.36
PKM P14618 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL11743755 0.86 ALDH1A1 (0.53) EDNRAMKNK2ALDH1A1HPGDKDM4E
SCHEMBL11746799 0.86 EDNRA (0.55) EDNRAMKNK2ALDH1A1HPGDKDM4E
SCHEMBL11743754 0.77 EDNRA (0.58) EDNRAMKNK2ALDH1A1HPGDKDM4E
SCHEMBL11741763 0.75 EDNRA (0.60) EDNRAALDH1A1HPGDKDM4EMCL1
SCHEMBL11748940 0.75 EDNRA (0.64) EDNRAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11750326 0.74 MCL1 (0.66) EDNRAALDH1A1HPGDKDM4EMCL1
SCHEMBL2903081 0.72 EDNRA (0.60) EDNRAALDH1A1HPGDKDM4ETSHR
SCHEMBL11739986 0.71 PIM1 (0.50) ALDH1A1HPGDKDM4EL3MBTL1HSD17B10
SCHEMBL3616780 0.71 EDNRA (1.00) EDNRAALDH1A1HPGDKDM4EMCL1
SCHEMBL11740033 0.71 HPGD (0.64) EDNRAALDH1A1HPGDKDM4EMCL1

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
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 US disclosed
US-4009994-A Process and product of optical brightening with quaternized benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1977-03-01 US disclosed
US-3940417-A Quaternised benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1976-02-24 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 3365/4885MKNK2 3601/4885ALDH1A1 634/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC EDNRA 3365/4885MKNK2 3601/4885ALDH1A1 634/4885

“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.