SCHEMBL2198063

SCHEMBL2198063

C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H]([C]=O)Cc1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APC P25054 3/20 0.62
CASP1 P29466 2/20 0.52
CASP3 P42574 1/20 0.52
CASP9 P55211 1/20 0.52
OPRD1 P41143 7/20 0.50
OPRM1 P35372 6/20 0.50
OPRK1 P41145 1/20 0.50
CTSB P07858 2/20 0.49
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
REN P00797 2/20 0.47

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
SCHEMBL16468879 0.89 CASP1 (0.58) APCCASP1CASP3CASP9CTSB
SCHEMBL2193938 0.85 APC (0.60) APCCASP1CASP3CASP9OPRD1
SCHEMBL30568689 0.84 APC (0.57) APCCASP1CASP3CASP9CTSB
SCHEMBL2181857 0.84 CASP1 (0.62) APCCASP1CASP3CASP9CTSB
SCHEMBL16770330 0.81 CASP3 (0.62) APCCASP1CASP3CASP9CTSB
SCHEMBL30578421 0.79 APC (0.57) APCCASP1CASP3CASP9CTSB
SCHEMBL6371162 0.78 CASP1 (0.61) CASP1CASP3CTSBCTSLCTSS
SCHEMBL2873941 0.78 MME (0.63) CASP1CASP3CASP9CTSBCTSL
SCHEMBL14778231 0.78 MME (0.63) CASP1CASP3CASP9CTSBCTSL
SCHEMBL13589992 0.78 ECE1 (0.63) CASP1CASP3CASP9CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680263-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2014-03-25 US disclosed
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF 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 (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-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST APC 1332/4885CASP1 4224/4885CASP3 3181/4885

“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.