SCHEMBL22952275

SCHEMBL22952275

CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CN)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 5/20 0.44
▸ NPY5R Q15761 5/20 0.38
▸ NPY4R P50391 5/20 0.38
▸ NPY1R P25929 4/20 0.38
▸ NPY2R P49146 2/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ FURIN P09958 3/20 0.37
▸ NMT2 O60551 1/20 0.37
▸ NMT1 P30419 1/20 0.37
▸ MAP1LC3B Q9GZQ8 2/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ SIRT3 Q9NTG7 1/20 0.35
▸ CTSL P07711 1/20 0.35

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
SCHEMBL18820346 0.94 FAP (0.44) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL9943152 0.94 FAP (0.47) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL16266184 0.94 FAP (0.44) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL16266214 0.94 FAP (0.44) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL15246622 0.94 FAP (0.44) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL24520454 0.94 FAP (0.47) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL20808481 0.94 FAP (0.44) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL21416485 0.94 FAP (0.44) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL16266215 0.94 FAP (0.44) FAPNPY5RNPY4RNPY1RNPY2R
SCHEMBL3244447 0.94 FAP (0.44) FAPNPY5RNPY4RNPY1RNPY2R

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
WO-2023109942-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 — — WO disclosed
US-20210030887-A1 NON-NATURAL AMATOXIN-TYPE ANTIBODY CONJUGATE SYSTIMMUNE, INC. 2021-02-04 — — 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-20210030887-A1 NON-NATURAL AMATOXIN-TYPE ANTIBODY CONJUGATE CD47, ANPEP, NGLY1 FAP 2220/4885NPY5R 3398/4885NPY4R 3755/4885

“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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