SCHEMBL2193290

SCHEMBL2193290

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]([C]=O)CC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.56
MAGI3 Q5TCQ9 1/20 0.54
ERAP2 Q6P179 4/20 0.53
IL1RN P18510 3/20 0.52
ERAP1 Q9NZ08 2/20 0.52
CASP1 P29466 1/20 0.52
CASP3 P42574 1/20 0.52
CASP4 P49662 1/20 0.52
CASP5 P51878 1/20 0.52
CASP7 P55210 1/20 0.52
CASP9 P55211 1/20 0.52
CASP6 P55212 1/20 0.52
CASP8 Q14790 1/20 0.52
CASP10 Q92851 1/20 0.52
KISS1R Q969F8 7/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
MMP2 P08253 2/20 0.48
MMP1 P03956 2/20 0.48
MMP9 P14780 1/20 0.48

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
SCHEMBL3124499 0.92 EDNRA (0.55) EDNRAMAGI3ERAP2IL1RNERAP1
SCHEMBL29595782 0.91 EDNRA (0.66) EDNRAMAGI3ERAP2IL1RNERAP1
SCHEMBL2183714 0.88 ERAP2 (0.59) EDNRAMAGI3ERAP2IL1RNERAP1
SCHEMBL2193967 0.87 BACE1 (0.51) EDNRAMAGI3ERAP2IL1RNERAP1
SCHEMBL30576557 0.86 EDNRA (0.61) EDNRAMAGI3ERAP2IL1RNERAP1
SCHEMBL2159478 0.86 EDNRA (0.55) EDNRAMAGI3ERAP2IL1RNERAP1
SCHEMBL30293823 0.86 EDNRA (0.60) EDNRAMAGI3ERAP2IL1RNERAP1
SCHEMBL1877672 0.86 ERAP2 (0.64) EDNRAMAGI3ERAP2IL1RNERAP1
SCHEMBL1877671 0.86 ERAP2 (0.64) EDNRAMAGI3ERAP2IL1RNERAP1
SCHEMBL30680479 0.85 ERAP2 (0.62) EDNRAMAGI3ERAP2IL1RNERAP1

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-20190070251-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS 2019-03-07 US disclosed
US-9682153-B2 Polymer conjugates of therapeutic peptides NEKTAR THERAPEUTICS (US) 2017-06-20 US disclosed
US-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS 2016-01-28 US disclosed
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE NEKTAR THERAPEUTICS (US) 2011-07-14 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 (3 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-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP EDNRA 1467/4885MAGI3 2187/4885ERAP2 638/4885
US-20190070251-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP EDNRA 1467/4885MAGI3 2187/4885ERAP2 638/4885
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE DNPEP, VIP, PTMS EDNRA 732/4885MAGI3 2737/4885ERAP2 697/4885

“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.