SCHEMBL3587165

SCHEMBL3587165

O=C(O)CC[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.55
KDM1A O60341 5/20 0.53
KDM1B Q8NB78 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CCKBR P32239 1/20 0.50
PADI6 Q6TGC4 1/20 0.50

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
SCHEMBL2245566 0.88 MMP2 (0.66) MMP2ALDH1A1LMNASMN1; SMN2
SCHEMBL3583969 0.86 PADI6 (0.64) MMP2CCKBRPADI6
SCHEMBL2244081 0.85 ADAMTS5 (0.54) MMP2KDM1ALMNASMN1; SMN2
SCHEMBL2247555 0.83 HPGDS (0.65) ALDH1A1LMNASMN1; SMN2
SCHEMBL2247747 0.82 KDM1A (0.53) MMP2KDM1AKDM1BLMNACCKBR
SCHEMBL3576509 0.80 ADAMTS5 (0.62) MMP2KDM1ACCKBR
SCHEMBL5246552 0.80 HPGD (0.72) ALDH1A1LMNASMN1; SMN2
SCHEMBL2247357 0.79 MMP2 (0.61) MMP2
SCHEMBL3585812 0.79 PADI6 (0.52) MMP2CCKBRPADI6
SCHEMBL2247525 0.79 MMP2 (0.66) MMP2SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
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 MMP2 49/4885KDM1A 634/4885KDM1B 802/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MMP2 49/4885KDM1A 634/4885KDM1B 802/4885

“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.