SCHEMBL2244741

SCHEMBL2244741

CCCCCCNC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
TLR2 O60603 6/20 0.58
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
PTPN1 P18031 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 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
SCHEMBL31282864 1.00 KMT2A (0.62) KMT2ATLR2MEN1ALDH1A1HPGD
SCHEMBL2244979 1.00 KMT2A (0.62) KMT2ATLR2MEN1ALDH1A1HPGD
SCHEMBL2251703 0.99 KMT2A (0.61) KMT2ATLR2MEN1ALDH1A1HPGD
SCHEMBL3577538 0.96 KMT2A (0.59) KMT2ATLR2PTPN1
SCHEMBL29145423 0.94 KMT2A (0.66) KMT2ATLR2SIRT2SIRT1SIRT3
SCHEMBL5493800 0.92 KMT2A (0.65) KMT2ATLR2
SCHEMBL5493804 0.92 KMT2A (0.65) KMT2ATLR2
SCHEMBL24401717 0.92 KMT2A (0.55) KMT2ATLR2PTPN1
SCHEMBL20411431 0.92 TLR2 (0.63) KMT2ATLR2SIRT2SIRT1SIRT3
SCHEMBL20411430 0.92 TLR2 (0.63) KMT2ATLR2SIRT2SIRT1SIRT3

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 KMT2A 2364/4885TLR2 3900/4885MEN1 2734/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KMT2A 2364/4885TLR2 3900/4885MEN1 2734/4885

“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.