SCHEMBL2183598

SCHEMBL2183598

N[C@@H](CCC(=O)O)C(=O)N[C@H]([C]=O)Cc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.49
CTSC P53634 5/20 0.47
SLC7A5 Q01650 1/20 0.47
YARS1 P54577 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CTSH P09668 1/20 0.44
CYP2D6 P10635 1/20 0.44
CTSK P43235 1/20 0.44
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
LTA4H P09960 3/20 0.41
SLC15A1 P46059 1/20 0.40
IL1RN P18510 1/20 0.40
ERAP2 Q6P179 1/20 0.40
OPRD1 P41143 1/20 0.39

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
SCHEMBL3064613 0.91 BACE1 (0.45) NAALAD2CTSCCYP1A2CYP3A4CTSH
SCHEMBL9390903 0.90 CTSC (0.59) NAALAD2CTSCSLC7A5CYP1A2CYP3A4
SCHEMBL890405 0.86 CTSC (0.57) CTSCSLC7A5YARS1CYP1A2CYP3A4
SCHEMBL890404 0.86 CTSC (0.57) CTSCSLC7A5YARS1CYP1A2CYP3A4
SCHEMBL5150941 0.85 NAALAD2 (0.46) NAALAD2CTSCCYP1A2CYP3A4CTSH
SCHEMBL8893265 0.84 CTSC (0.67) CTSCSLC7A5YARS1CYP1A2CYP3A4
SCHEMBL5996736 0.84 CTSC (0.67) CTSCSLC7A5YARS1CYP1A2CYP3A4
SCHEMBL9143188 0.84 CTSC (0.67) CTSCSLC7A5YARS1CYP1A2CYP3A4
SCHEMBL9293695 0.84 CTSC (0.67) CTSCSLC7A5YARS1CYP1A2CYP3A4
SCHEMBL516225 0.84 CTSC (0.48) CTSCSLC7A5YARS1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110166063-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP NAALAD2 654/4885CTSC 331/4885SLC7A5 419/4885

“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.