SCHEMBL17176233

SCHEMBL17176233

CNC(CCCCN)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 1/20 0.51
▸ F2 P00734 2/20 0.49
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ IL1RN P18510 1/20 0.45
▸ ERAP2 Q6P179 1/20 0.45
▸ BACE1 P56817 3/20 0.44
▸ BACE2 Q9Y5Z0 2/20 0.44
▸ MME P08473 2/20 0.44
▸ ACE P12821 2/20 0.44
▸ NPPA P01160 1/20 0.44
▸ ECE1 P42892 1/20 0.44
▸ IL23R Q5VWK5 2/20 0.44
▸ CASP1 P29466 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ CASP9 P55211 1/20 0.43
▸ NTSR2 O95665 1/20 0.43
▸ NTSR1 P30989 1/20 0.43
▸ CPA1 P15085 1/20 0.43

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
SCHEMBL31613777 0.91 NPY1R (0.55) NAALAD2NPY1RNPY2RNPY4RBACE1
SCHEMBL29530540 0.87 OPRM1 (0.49) F2NPY1RNPY2RNPY4RERAP2
SCHEMBL9341200 0.86 BACE1 (0.52) NAALAD2F2NPY1RNPY2RNPY4R
SCHEMBL9341178 0.86 BACE1 (0.52) NAALAD2F2NPY1RNPY2RNPY4R
SCHEMBL30401037 0.86 NPY1R (0.53) F2NPY1RNPY2RNPY4RBACE1
SCHEMBL31650552 0.86 NAALAD2 (0.58) NAALAD2F2NPY1RNPY2RNPY4R
SCHEMBL29531626 0.85 OPRM1 (0.56) F2BACE1BACE2
SCHEMBL29531082 0.85 OPRM1 (0.56) F2BACE1BACE2
SCHEMBL30512765 0.85 BACE1 (0.59) NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL31613782 0.85 NPY4R (0.54) NPY1RNPY2RNPY4RBACE1BACE2

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-20150290341-A1 TARGETED IDURONATE-2-SULFATASE COMPOUNDS Anglachem Inc. (CA) 2015-10-15 — — 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-20150290341-A1 TARGETED IDURONATE-2-SULFATASE COMPOUNDS IDUA, GAA, MAN2B1 NAALAD2 30/4885F2 4172/4885NPY1R 2071/4885

“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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