SCHEMBL3598895

SCHEMBL3598895

COCCc1cccc2oc(C(=O)O)c(C)c12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.59
MMP2 P08253 2/20 0.46
MMP13 P45452 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
MCL1 Q07820 5/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.40
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
NMT2 O60551 1/20 0.39
NMT1 P30419 1/20 0.39
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL3606224 0.92 EDNRA (0.57) EDNRAMMP2MMP13NPC1RAB9A
SCHEMBL3607209 0.86 EDNRA (0.62) EDNRAMMP2MMP13NPC1RAB9A
SCHEMBL3615793 0.85 RAB9A (0.64) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL3607819 0.82 EDNRA (0.60) EDNRAMMP2MMP13NPC1RAB9A
SCHEMBL3619524 0.82 EDNRA (0.54) EDNRAMMP2MMP13NPC1RAB9A
SCHEMBL27593837 0.81 EDNRA (0.59) EDNRANPC1RAB9AMAPTMCL1
SCHEMBL27593826 0.80 EDNRA (0.57) EDNRAMMP2MMP13NPC1RAB9A
SCHEMBL3611000 0.78 NPC1 (0.61) MMP2MMP13NPC1RAB9AMAPT
SCHEMBL27870689 0.77 EDNRA (0.55) EDNRAMMP2MMP13NPC1RAB9A
SCHEMBL5787098 0.75 MMP2 (0.44) EDNRAMMP2MMP13NPC1RAB9A

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-20100240772-A1 PIGMENT-FREE, AQUEOUS POLYMER DISPERSIONS MARKED WITH FLUORESCENT DYES, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF SE (DE) 2010-09-23 US disclosed
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 3365/4885MMP2 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.