SCHEMBL2184747

SCHEMBL2184747

N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C]=O)CCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.51
MMP8 P22894 1/20 0.51
CTSC P53634 2/20 0.48
PTPN1 P18031 2/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.46
LTA4H P09960 1/20 0.46
MMP2 P08253 9/20 0.45
MMP3 P08254 4/20 0.45
SLC15A1 P46059 1/20 0.45

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
SCHEMBL2196939 0.98 PTPN1 (0.50) MMP1MMP8CTSCPTPN1NAALAD2
SCHEMBL16468683 0.88 CTSC (0.56) MMP1MMP8CTSCNAALAD2LTA4H
SCHEMBL11443315 0.87 CTSC (0.63) CTSCNAALAD2LTA4HSLC15A1
SCHEMBL2185270 0.87 MMP1 (0.52) MMP1MMP8CTSCNAALAD2MMP2
SCHEMBL30483779 0.86 NAALAD2 (0.64) MMP1MMP8PTPN1NAALAD2LTA4H
SCHEMBL2159156 0.86 ENPEP (0.52) NAALAD2
SCHEMBL28454784 0.84 CTSC (0.62) CTSCLTA4HSLC15A1
SCHEMBL3037175 0.84 CTSC (0.62) CTSCLTA4HSLC15A1
SCHEMBL3497497 0.84 CTSC (0.62) CTSCLTA4HSLC15A1
SCHEMBL7404711 0.83 DPP4 (0.44) NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173951-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2015-11-03 US disclosed
US-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2015-02-19 US disclosed
US-20110166063-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-07 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-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST MMP1 1154/4885MMP8 2359/4885CTSC 383/4885
US-20110166063-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP MMP1 653/4885MMP8 1239/4885CTSC 331/4885

“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.