SCHEMBL4297055

SCHEMBL4297055

CC(CNC(=N)N)C(C)(C)[C@@](C)(C(=O)O)N(C)S(=O)(=O)c1ccc2c(c1)CCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.44
MMP13 P45452 2/20 0.44
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
PKM P14618 3/20 0.37
CHRM5 P08912 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
PKLR P30613 1/20 0.35
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL27228693 1.00 MMP2 (0.44) MMP2MMP13KEAP1NFE2L2PKM
SCHEMBL7262682 0.96 KEAP1 (0.43) MMP2MMP13KEAP1NFE2L2PKM
SCHEMBL1509783 0.73 CYP2D6 (0.30)
SCHEMBL8533151 0.71 KEAP1 (0.47) MMP2MMP13KEAP1NFE2L2PKM
SCHEMBL8533154 0.69 KEAP1 (0.47) MMP2MMP13KEAP1NFE2L2PKM
SCHEMBL29156174 0.67 PKM (0.54) MMP2MMP13KEAP1NFE2L2PKM
SCHEMBL8276256 0.66 MMP2 (0.58) MMP2MMP13KEAP1NFE2L2PKM
SCHEMBL13463174 0.65 MMP2 (0.60) MMP2MMP13KEAP1NFE2L2PKM
SCHEMBL27042478 0.65 ITGB3 (0.47) MMP2MMP13PKMHDAC3HDAC4
SCHEMBL27042471 0.65 ITGB3 (0.47) MMP2MMP13PKMHDAC3HDAC4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378066-B2 Insulinotropic peptide synthesis using solid and solution phase combination techniques CORDEN PHARMA COLORADO, INC. (US) 2013-02-19 US disclosed
US-20090149628-A1 Insulinotropic peptide synthesis using solid and solution phase combination techniques ROCHE COLORADO CORPORATION 2009-06-11 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 (1 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-20090149628-A1 Insulinotropic peptide synthesis using solid and solution phase combination techniques IAPP, GLP1R, INSR MMP2 2874/4885MMP13 2215/4885KEAP1 3727/4885

“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.