SCHEMBL2247270

SCHEMBL2247270

NC(=O)[C@H](CCC(=O)O)N(Cc1ccc(Cl)c(Cl)c1)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.40
KMT2A Q03164 2/20 0.38
FABP7 O15540 2/20 0.38
FABP5 Q01469 2/20 0.38
CHRM5 P08912 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
CHRM2 P08172 2/20 0.35
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
EPHX2 P34913 1/20 0.33
CASP3 P42574 2/20 0.33

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
SCHEMBL2247564 0.88 PTPN1 (0.42) PTPN1KMT2AFABP7FABP5EPHX2
SCHEMBL2249466 0.87 PTPN1 (0.41) PTPN1KMT2AFABP7FABP5EPHX2
SCHEMBL2248194 0.87 PTPN1 (0.43) PTPN1KMT2AFABP5CHRM5CHRM1
SCHEMBL2251948 0.85 PTPN1 (0.41) PTPN1KMT2AFABP7FABP5EPHX2
SCHEMBL2247709 0.85 PTPN1 (0.39) PTPN1KMT2AFABP7FABP5EPHX2
SCHEMBL2245317 0.84 PTPN1 (0.40) PTPN1KMT2AFABP7FABP5CASP3
SCHEMBL2246132 0.84 BMP1 (0.43) PTPN1KMT2ACHRM5CHRM1CHRM3
SCHEMBL2246888 0.84 PTPN1 (0.40) PTPN1KMT2ACASP3
SCHEMBL2243995 0.84 PTPN1 (0.40) PTPN1KMT2AFABP7FABP5CASP3
SCHEMBL2248824 0.83 KMT2A (0.39) PTPN1KMT2AFABP7FABP5CASP3

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 2364/4885FABP7 182/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 PTPN1 4403/4885KMT2A 2364/4885FABP7 182/4885

“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.