SCHEMBL2245010

SCHEMBL2245010

O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
PTPN1 P18031 5/20 0.52
SMN1; SMN2 Q16637 1/20 0.48
TLR2 O60603 3/20 0.46
MDM4 O15151 1/20 0.46
TP53 P04637 1/20 0.46
CASP3 P42574 1/20 0.46

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
SCHEMBL2251917 0.94 KMT2A (0.58) KMT2APTPN1TLR2
SCHEMBL2245718 0.93 PTPN1 (0.53) KMT2APTPN1SMN1; SMN2TLR2MDM4
SCHEMBL2245107 0.93 KMT2A (0.60) KMT2APTPN1TLR2
SCHEMBL2251603 0.92 PTPN1 (0.51) KMT2APTPN1SMN1; SMN2TLR2
SCHEMBL29661423 0.92 KMT2A (0.58) KMT2APTPN1TLR2MDM4TP53
SCHEMBL3576902 0.90 KMT2A (0.54) KMT2APTPN1TLR2MDM4TP53
SCHEMBL2249386 0.89 PTPN1 (0.49) KMT2APTPN1SMN1; SMN2
SCHEMBL24401717 0.89 KMT2A (0.55) KMT2APTPN1TLR2MDM4TP53
SCHEMBL2242449 0.89 KMT2A (0.55) KMT2APTPN1TLR2MDM4TP53
SCHEMBL2245085 0.88 PTPN1 (0.56) KMT2APTPN1TLR2CASP3

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 2364/4885PTPN1 4403/4885SMN1; SMN2 2624/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KMT2A 2364/4885PTPN1 4403/4885SMN1; SMN2 2624/4885

“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.