SCHEMBL2249506

SCHEMBL2249506

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL2248530 0.87 PDE4A (0.45) SMN1; SMN2CYP3A4HPGDMAPTLPAR1
SCHEMBL2247955 0.84 LTA4H (0.39) SMN1; SMN2NFKB1RAB9ANFKB2RELA
SCHEMBL2249342 0.79 MMP12 (0.43) ALDH1A1HPGDMAPT
SCHEMBL2251275 0.79 MMP12 (0.40) SMN1; SMN2ALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL2245097 0.79 KMT2A (0.37) SMN1; SMN2ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL2247535 0.79 MMP12 (0.40) ALDH1A1HPGDMAPT
SCHEMBL2247217 0.78 TP53 (0.42) F10F2PRSS1PRSS2PRSS3
SCHEMBL2243828 0.77 EPOR (0.38) PTGESALOX5
SCHEMBL2253026 0.77 FFAR1 (0.40) SMN1; SMN2NPC1RAB9APOLB
SCHEMBL2247429 0.77 SRD5A2 (0.43) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9

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 6 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
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 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.