SCHEMBL2248828

SCHEMBL2248828

NC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCCc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.44
▸ PTPN1 P18031 5/20 0.44
▸ TLR2 O60603 2/20 0.42
▸ MDM4 O15151 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 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
SCHEMBL2245577 0.91 MDM2 (0.47) KMT2APTPN1TLR2MDM4TP53
SCHEMBL2247799 0.90 PTPN1 (0.42) KMT2APTPN1TLR2HDAC1HDAC2
SCHEMBL2248399 0.87 KMT2A (0.44) KMT2APTPN1TLR2MDM4TP53
SCHEMBL2251587 0.86 PTPN1 (0.47) KMT2APTPN1TLR2
SCHEMBL2252329 0.84 PTPN1 (0.42) KMT2APTPN1TLR2HDAC1HDAC2
SCHEMBL2246532 0.84 CYP3A4 (0.45) PTPN1MDM4TP53
SCHEMBL2251707 0.82 TLR2 (0.46) KMT2APTPN1TLR2MDM4TP53
SCHEMBL2247275 0.82 PTPN1 (0.46) KMT2APTPN1MDM4TP53HDAC1
SCHEMBL2247714 0.82 PTPN1 (0.45) KMT2APTPN1MDM4TP53HDAC1
SCHEMBL28792081 0.82 HDAC1 (0.54) KMT2APTPN1MDM4TP53HDAC1

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

Send feedback