SCHEMBL3606224

SCHEMBL3606224

COCCCc1cccc2oc(C(=O)O)c(C)c12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.57
MMP2 P08253 2/20 0.53
MMP13 P45452 2/20 0.53
MCL1 Q07820 4/20 0.46
BCL2 P10415 1/20 0.44
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
NMT2 O60551 3/20 0.40
NMT1 P30419 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38

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
SCHEMBL3598895 0.92 EDNRA (0.59) EDNRAMMP2MMP13MCL1BCL2
SCHEMBL3611000 0.86 NPC1 (0.61) MMP2MMP13NPC1RAB9AMAPT
SCHEMBL3619524 0.85 EDNRA (0.54) EDNRAMMP2MMP13MCL1BCL2
SCHEMBL3607209 0.83 EDNRA (0.62) EDNRAMMP2MMP13MCL1NPC1
SCHEMBL3607819 0.80 EDNRA (0.60) EDNRAMMP2MMP13MCL1NPC1
SCHEMBL27593837 0.79 EDNRA (0.59) EDNRAMCL1NPC1RAB9AMAPT
SCHEMBL3610638 0.78 MMP2 (0.41) EDNRAMMP2MMP13NPC1RAB9A
SCHEMBL3615793 0.78 RAB9A (0.64) NPC1RAB9AMAPTNMT2NMT1
SCHEMBL27593826 0.77 EDNRA (0.57) EDNRAMMP2MMP13MCL1NPC1
SCHEMBL3616047 0.76 MMP2 (0.39) MMP2MMP13NMT2NMT1

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
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 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 (3 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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 EDNRA 2098/4885MMP2 35/4885MMP13 130/4885
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.