SCHEMBL2247356

SCHEMBL2247356

COc1cc(CNC(=O)C(CCC(=O)O)NC(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.57
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 1/20 0.50
ADAMTS4 O75173 3/20 0.49
ADAMTS5 Q9UNA0 3/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
ABCB1 P08183 1/20 0.44

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
SCHEMBL2246494 0.88 MMP2 (0.66) MMP2ADAMTS4ADAMTS5
SCHEMBL2248116 0.88 MMP2 (0.69) MMP2ALDH1A1ADAMTS4ADAMTS5HPGD
SCHEMBL2248006 0.85 MMP2 (0.61) MMP2ADAMTS4ADAMTS5TAS1R3TAS1R1
SCHEMBL2243574 0.84 MMP2 (0.65) MMP2ADAMTS4ADAMTS5
SCHEMBL4649972 0.83 HPGD (0.52) MMP2KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL2249428 0.81 MMP2 (0.60) MMP2ADAMTS4ADAMTS5
SCHEMBL2247525 0.80 MMP2 (0.66) MMP2ADAMTS4ADAMTS5
SCHEMBL2247504 0.79 SMN1; SMN2 (0.69) MMP2CYP3A4ADAMTS4ADAMTS5
SCHEMBL2245726 0.76 MMP2 (0.55) MMP2ALDH1A1CYP3A4ADAMTS4ADAMTS5
SCHEMBL2245195 0.76 MMP2 (0.61) MMP2ADAMTS4ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 MMP2 49/4885KMT2A 2364/4885ALDH1A1 991/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MMP2 49/4885KMT2A 2364/4885ALDH1A1 991/4885

“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.