SCHEMBL2248002

SCHEMBL2248002

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

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
PTPN1 P18031 3/20 0.51
TLR2 O60603 4/20 0.49
CASP3 P42574 1/20 0.47

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
SCHEMBL26232021 0.94 KMT2A (0.50) KMT2APTPN1TLR2CASP3
SCHEMBL29799591 0.94 KMT2A (0.50) KMT2APTPN1TLR2CASP3
SCHEMBL31648532 0.94 KMT2A (0.50) KMT2APTPN1TLR2CASP3
SCHEMBL31287180 0.94 KMT2A (0.50) KMT2APTPN1TLR2CASP3
SCHEMBL29661423 0.91 KMT2A (0.58) KMT2APTPN1TLR2CASP3
SCHEMBL24401717 0.90 KMT2A (0.55) KMT2APTPN1TLR2CASP3
SCHEMBL2242449 0.90 KMT2A (0.55) KMT2APTPN1TLR2CASP3
SCHEMBL26689241 0.89 KMT2A (0.53) KMT2APTPN1TLR2CASP3
SCHEMBL26689394 0.89 KMT2A (0.53) KMT2APTPN1TLR2CASP3
SCHEMBL26689238 0.89 KMT2A (0.53) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016196124-A2 PRODRUGS COMPRISING A PYROGLUTAMATE LINKER ASCENDIS PHARMA INC. (US) 2016-12-08 WO disclosed
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.