SCHEMBL2193967

SCHEMBL2193967

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.51
OPRM1 P35372 2/20 0.49
OPRD1 P41143 2/20 0.49
EDNRA P25101 1/20 0.49
CASP1 P29466 1/20 0.48
CASP3 P42574 1/20 0.48
CASP4 P49662 1/20 0.48
CASP5 P51878 1/20 0.48
CASP7 P55210 1/20 0.48
CASP9 P55211 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
CASP10 Q92851 1/20 0.48
MAGI3 Q5TCQ9 1/20 0.48
GHSR Q92847 3/20 0.48
ERAP2 Q6P179 2/20 0.47
IL1RN P18510 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
CTSC P53634 2/20 0.46
KISS1R Q969F8 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
SCHEMBL30054135 0.92 EDNRA (0.58) BACE1OPRM1OPRD1EDNRACASP1
SCHEMBL30721568 0.89 EDNRA (0.60) BACE1EDNRACASP1CASP3CASP4
SCHEMBL676260 0.89 EDNRA (0.54) BACE1EDNRAMAGI3ERAP2IL1RN
SCHEMBL30874380 0.87 EDNRA (0.58) BACE1EDNRAMAGI3ERAP2IL1RN
SCHEMBL2193290 0.87 EDNRA (0.56) OPRM1OPRD1EDNRACASP1CASP3
SCHEMBL2159478 0.86 EDNRA (0.55) EDNRACASP1CASP3CASP4CASP5
SCHEMBL30293823 0.86 EDNRA (0.60) BACE1EDNRACASP1CASP3CASP4
SCHEMBL29603769 0.84 ERAP2 (0.62) EDNRAMAGI3ERAP2
SCHEMBL29394599 0.84 ERAP2 (0.60) EDNRACASP1CASP3CASP4CASP5
SCHEMBL29603848 0.84 ERAP2 (0.62) EDNRAMAGI3ERAP2

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 BACE1 2543/4885OPRM1 2317/4885OPRD1 3100/4885
US-20190070251-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP BACE1 2543/4885OPRM1 2317/4885OPRD1 3100/4885
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE DNPEP, VIP, PTMS BACE1 1932/4885OPRM1 1535/4885OPRD1 2871/4885

“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.