SCHEMBL2249509

SCHEMBL2249509

COc1ccc(-c2ccc(C(=O)OC(=O)[C@H](CCC(N)=O)NC(C)(C)Cc3ccccc3)cc2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
CAPN1 P07384 4/20 0.39
ST14 Q9Y5Y6 2/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DAGLB Q8NCG7 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL2248535 0.87 SMN1; SMN2 (0.45) F10F2PRSS1PRSS2PRSS3
SCHEMBL2247957 0.85 ADRB2 (0.40) ALDH1A1TP53KMT2ASMN1; SMN2
SCHEMBL2245100 0.81 HPGD (0.41) PRSS1ALDH1A1TP53MAPTMEN1
SCHEMBL2249344 0.81 MMP2 (0.45) F10F2PRSS1MAPTSMN1; SMN2
SCHEMBL2251277 0.81 MMP2 (0.42) F10PRSS1TP53MAPTMEN1
SCHEMBL2247223 0.81 MAPT (0.41) F10F2PRSS1PRSS2PRSS3
SCHEMBL2247537 0.80 MMP2 (0.42) F10PRSS1MAPTMEN1KMT2A
SCHEMBL2249781 0.79 MMP2 (0.39) SMN1; SMN2
SCHEMBL4365446 0.78 KDM4E (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL2243832 0.78 SMN1; SMN2 (0.39) MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
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
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP 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 (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 F10 2019/4885F2 4142/4885PRSS1 122/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 F10 2019/4885F2 4142/4885PRSS1 122/4885

“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.