SCHEMBL2244907

SCHEMBL2244907

Cc1cccc(CNC(=O)[C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.52
KMT2A Q03164 1/20 0.47
TLR2 O60603 4/20 0.44
MMP2 P08253 1/20 0.44
MDM2 Q00987 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL3576902 0.91 KMT2A (0.54) PTPN1KMT2ATLR2CASP3
SCHEMBL2251700 0.90 PTPN1 (0.54) PTPN1KMT2ATLR2MDM2CASP3
SCHEMBL2247371 0.89 PTPN1 (0.51) PTPN1KMT2AMMP2MDM2
SCHEMBL2247948 0.89 MMP2 (0.54) PTPN1KMT2ATLR2MMP2MDM2
SCHEMBL2249376 0.89 PTPN1 (0.52) PTPN1KMT2ATLR2MDM2
SCHEMBL2246963 0.87 PTPN1 (0.49) PTPN1KMT2AMDM2
SCHEMBL2252858 0.86 PTPN1 (0.48) PTPN1KMT2ATLR2MMP2
SCHEMBL12156602 0.86 PTPN1 (0.54) PTPN1KMT2ATLR2CASP3
SCHEMBL2246238 0.86 MCHR1 (0.47) MMP2
SCHEMBL2252403 0.85 PTPN1 (0.47) PTPN1KMT2AMDM2

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 PTPN1 4403/4885KMT2A 2364/4885TLR2 3900/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 PTPN1 4403/4885KMT2A 2364/4885TLR2 3900/4885

“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.