SCHEMBL2185084

SCHEMBL2185084

CC(C)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)[C]=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.48
▸ SLC6A2 P23975 1/20 0.42
▸ ELANE P08246 3/20 0.42
▸ XIAP P98170 2/20 0.41
▸ CAPN1 P07384 2/20 0.41
▸ REN P00797 2/20 0.41
▸ CASP3 P42574 2/20 0.40
▸ CASP2 P42575 2/20 0.40
▸ CMA1 P23946 1/20 0.40
▸ MLX Q9UH92 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
SCHEMBL16468657 0.88 ACE (0.50) CALCRLRENCASP3CASP2
SCHEMBL30525434 0.88 CALCRL (0.50) CALCRLSLC6A2XIAPCAPN1REN
SCHEMBL30525445 0.85 CAPN1 (0.53) CALCRLSLC6A2XIAPCAPN1CMA1
SCHEMBL30401176 0.85 SLC6A2 (0.49) CALCRLSLC6A2XIAPCAPN1REN
SCHEMBL3084259 0.84 CALCRL (0.41) CALCRLCASP3CASP2
SCHEMBL29521253 0.83 CALCRL (0.49) CALCRLXIAPCAPN1REN
SCHEMBL5065494 0.82 XIAP (0.48) CALCRLSLC6A2ELANEXIAPCAPN1
SCHEMBL5065490 0.82 XIAP (0.48) CALCRLSLC6A2ELANEXIAPCAPN1
SCHEMBL29575852 0.82 CMA1 (0.51) CALCRLSLC6A2ELANEXIAPCAPN1
SCHEMBL30532203 0.81 CALCRL (0.45) CALCRLSLC6A2XIAPCAPN1REN

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 CALCRL 2145/4885SLC6A2 1505/4885ELANE 582/4885

“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.

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