SCHEMBL2246535

SCHEMBL2246535

NC(=O)[C@H](CCC(=O)O)NCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
MMP2 P08253 2/20 0.48
MMP8 P22894 2/20 0.48
MMP12 P39900 2/20 0.48
MMP13 P45452 1/20 0.48
NAALAD2 Q9Y3Q0 1/20 0.48
ERAP2 Q6P179 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
LNPEP Q9UIQ6 1/20 0.47
HDAC2 Q92769 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
FFAR1 O14842 2/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL2248515 0.91 GGT1 (0.56) KEAP1MMP2MMP8MMP12MMP13
SCHEMBL2246498 0.90 LMNA (0.52) KEAP1MMP2MMP8MMP12MMP13
SCHEMBL30882671 0.89 OPRK1 (0.49) ERAP2ERAP1ADRA1ASMN1; SMN2GGT1
SCHEMBL30882505 0.89 OPRK1 (0.49) ERAP2ERAP1ADRA1ASMN1; SMN2GGT1
SCHEMBL27495949 0.88 NAALAD2 (0.57) KEAP1MMP2MMP8MMP12MMP13
SCHEMBL27495948 0.88 NAALAD2 (0.57) KEAP1MMP2MMP8MMP12MMP13
Hydrochloric Acid SCHEMBL30882685 0.88 OPRK1 (0.48) ERAP2ERAP1ADRA1ASMN1; SMN2GGT1
SCHEMBL2244983 0.87 FOLH1 (0.47) MMP2MMP8MMP12MMP13FFAR1
SCHEMBL2244465 0.87 FOLH1 (0.47) MMP2MMP8MMP12MMP13HDAC2
SCHEMBL2248684 0.87 FOLH1 (0.47) MMP2MMP8MMP12MMP13FFAR1

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 6 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
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO 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 KEAP1 1923/4885MMP2 49/4885MMP8 70/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KEAP1 1923/4885MMP2 49/4885MMP8 70/4885

“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.