SCHEMBL2246530

SCHEMBL2246530

CC(C)(Cc1ccc(Cl)cc1)N(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.39
KMT2A Q03164 2/20 0.37
FABP5 Q01469 3/20 0.35
FABP7 O15540 2/20 0.35
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
PMP22 Q01453 1/20 0.34
NLRP3 Q96P20 1/20 0.34
GRB2 P62993 1/20 0.33
CASP3 P42574 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL2254025 0.94 KMT2A (0.40) PTPN1KMT2AFABP5FABP7GRB2
SCHEMBL2252011 0.86 KMT2A (0.41) PTPN1KMT2AFABP5FABP7GRB2
SCHEMBL2247201 0.85 KMT2A (0.43) PTPN1KMT2AFABP5FABP7CASP3
SCHEMBL2248824 0.81 KMT2A (0.39) PTPN1KMT2AFABP5FABP7CASP3
SCHEMBL2248528 0.78 KMT2A (0.42) PTPN1KMT2AFABP5FABP7GRB2
SCHEMBL18832276 0.77 KMT2A (0.45) PTPN1KMT2AFABP5FABP7CASP3
SCHEMBL29047040 0.77 KMT2A (0.45) PTPN1KMT2AFABP5FABP7CASP3
SCHEMBL2246888 0.77 PTPN1 (0.40) PTPN1KMT2ALMNAGRB2CASP3
SCHEMBL29047057 0.76 KMT2A (0.44) PTPN1KMT2AFABP5FABP7CASP3
SCHEMBL2246665 0.76 KMT2A (0.41) PTPN1KMT2AFABP5FABP7GRB2

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 2364/4885FABP5 574/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 PTPN1 4403/4885KMT2A 2364/4885FABP5 574/4885

“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.