SCHEMBL8237305

SCHEMBL8237305

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.66
CA1 P00915 3/20 0.66
ADAMTS4 O75173 2/20 0.64
ADAMTS5 Q9UNA0 2/20 0.64
MMP12 P39900 2/20 0.60
FOLH1 Q04609 2/20 0.60
MMP8 P22894 2/20 0.57
MMP9 P14780 1/20 0.57
MMP13 P45452 1/20 0.57
MMP2 P08253 1/20 0.57
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
NAALAD2 Q9Y3Q0 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HPGDS O60760 1/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL2252322 1.00 CA2 (0.66) CA2CA1ADAMTS4ADAMTS5MMP12
SCHEMBL97498 0.92 CA2 (0.67) CA2CA1ADAMTS4ADAMTS5FOLH1
SCHEMBL715646 0.92 CA2 (0.67) CA2CA1ADAMTS4ADAMTS5FOLH1
SCHEMBL698067 0.92 CA2 (0.67) CA2CA1ADAMTS4ADAMTS5FOLH1
SCHEMBL27564186 0.92 CA2 (0.75) CA2CA1FOLH1CA12CA9
SCHEMBL2246065 0.91 PTPN1 (0.60) CA2CA1ADAMTS4ADAMTS5MMP12
SCHEMBL4623122 0.91 PTPN1 (0.60) CA2CA1ADAMTS4ADAMTS5MMP12
SCHEMBL28184998 0.90 CA2 (0.65) CA2CA1ADAMTS4ADAMTS5FOLH1
SCHEMBL4618531 0.90 CA2 (0.65) CA2CA1ADAMTS4ADAMTS5FOLH1
Ammonia Solution, Strong SCHEMBL28375957 0.90 CA2 (0.65) CA2CA1ADAMTS4ADAMTS5FOLH1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797417-B1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS HEINRICH HEINE UNIV DUESSELDORF (DE) 2019-07-31 EP disclosed
US-20150216167-A1 SELECTIVE INHIBITION OF C4-PEP CARBOXYLASES HEINRICH HEINE UNIVERSITAT DUSSELDORF (DE) 2015-08-06 US disclosed
EP-2797417-A1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS Heinrich-Heine-Universität Düsseldorf (DE) 2014-11-05 EP disclosed
WO-2013093007-A1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS HEINRICH HEINE UNIVERSITÄT DÜSSELDORF (DE) 2013-06-27 WO disclosed
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 US disclosed
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO 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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 CA2 134/4885CA1 65/4885ADAMTS4 5/4885
US-20150216167-A1 SELECTIVE INHIBITION OF C4-PEP CARBOXYLASES CBR3, GRHPR, PCK1 CA2 599/4885CA1 2676/4885ADAMTS4 4715/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 CA2 134/4885CA1 65/4885ADAMTS4 5/4885

“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.