SCHEMBL2247602

SCHEMBL2247602

O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.51
KMT2A Q03164 1/20 0.43
MDM2 Q00987 2/20 0.42
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42
MCHR1 Q99705 1/20 0.41
TLR2 O60603 2/20 0.41

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
SCHEMBL2246963 0.86 PTPN1 (0.49) PTPN1KMT2AMDM2MCHR1
SCHEMBL2247071 0.86 PTPN1 (0.54) PTPN1KMT2AMDM2MDM4TP53
SCHEMBL2249376 0.85 PTPN1 (0.52) PTPN1KMT2AMDM2MDM4TP53
SCHEMBL2245613 0.85 PTPN1 (0.48) PTPN1KMT2AMDM2MDM4TP53
SCHEMBL3576902 0.85 KMT2A (0.54) PTPN1KMT2AMDM4TP53TLR2
SCHEMBL2244684 0.84 PTPN1 (0.50) PTPN1KMT2AMDM2MCHR1TLR2
SCHEMBL2252403 0.83 PTPN1 (0.47) PTPN1KMT2AMDM2
SCHEMBL12156602 0.82 PTPN1 (0.54) PTPN1KMT2ATLR2
SCHEMBL2247631 0.82 PTPN1 (0.52) PTPN1KMT2AMDM2MDM4TP53
SCHEMBL2248960 0.82 PTPN1 (0.52) PTPN1KMT2AMDM2MDM4TP53

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-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 PTPN1 4403/4885KMT2A 2364/4885MDM2 2939/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 PTPN1 4403/4885KMT2A 2364/4885MDM2 2939/4885

“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.