SCHEMBL24310822

SCHEMBL24310822

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.63
BACE1 P56817 1/20 0.52
BACE2 Q9Y5Z0 1/20 0.52
OPRD1 P41143 8/20 0.51
GRIA1 P42261 1/20 0.49
ACE P12821 1/20 0.47
OPRM1 P35372 4/20 0.46
OPRK1 P41145 1/20 0.46
CPA1 P15085 1/20 0.45
CPA2 P48052 1/20 0.45
CPA4 Q9UI42 1/20 0.45

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
SCHEMBL14370014 0.90 CASP1 (0.60) CASP1BACE1BACE2OPRD1GRIA1
SCHEMBL5689768 0.89 CASP1 (0.59) CASP1BACE1BACE2OPRD1GRIA1
SCHEMBL2314756 0.89 CASP1 (0.61) CASP1BACE1BACE2OPRD1GRIA1
SCHEMBL2314769 0.89 CASP1 (0.61) CASP1BACE1BACE2OPRD1GRIA1
SCHEMBL24520152 0.87 BACE1 (0.58) CASP1BACE1BACE2ACE
SCHEMBL30493755 0.85 ACE (0.56) CASP1BACE1BACE2OPRD1GRIA1
SCHEMBL29611561 0.85 BACE1 (0.58) CASP1BACE1BACE2OPRD1ACE
SCHEMBL30863540 0.85 CASP1 (0.52) CASP1BACE1BACE2OPRD1GRIA1
SCHEMBL23600925 0.84 ACE (0.55) CASP1BACE1BACE2ACE
SCHEMBL23572631 0.84 ACE (0.55) CASP1BACE1BACE2ACE

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-20220119840-A1 CLOSED-ENDED DNA (CEDNA) AND USE IN METHODS OF REDUCING GENE OR NUCLEIC ACID THERAPY RELATED IMMUNE RESPONSE GENERATION BIO CO. 2022-04-21 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-20220119840-A1 CLOSED-ENDED DNA (CEDNA) AND USE IN METHODS OF REDUCING GENE OR NUCLEIC ACID THERAPY RELATED IMMUNE RESPONSE STING1, DCLRE1B, DCLRE1A CASP1 180/4885BACE1 3302/4885BACE2 2502/4885

“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.