SCHEMBL24191552

SCHEMBL24191552

NCC(=O)NCC(=O)N[C@@H](CCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.49
▸ AOC3 Q16853 2/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ MME P08473 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ ACE P12821 1/20 0.46
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNB4 P30926 1/20 0.45
▸ CHRNA3 P32297 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ SLC6A9 P48067 1/20 0.44
▸ SLC6A5 Q9Y345 1/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CCKAR P32238 3/20 0.42
▸ CCKBR P32239 3/20 0.42

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
SCHEMBL27767240 0.90 CNR2 (0.55) AOC3CNR2MMEMMP2ACE
SCHEMBL24191702 0.87 LTA4H (0.52) —
SCHEMBL2032499 0.86 MMP2 (0.56) AOC3MMEMMP2ACEITGB3
SCHEMBL16983210 0.86 MMP2 (0.56) AOC3MMEMMP2ACEITGB3
SCHEMBL2032501 0.86 MMP2 (0.56) AOC3MMEMMP2ACEITGB3
SCHEMBL24191597 0.86 QRFPR (0.54) F2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29630808 0.84 MMP2 (0.55) AOC3MMEMMP2ACEITGB3
SCHEMBL23142823 0.81 CTSB (0.55) MMEMMP2ACEITGB3ITGA2B
SCHEMBL30051999 0.81 CTSB (0.55) MMEMMP2ACEITGB3ITGA2B
SCHEMBL30051480 0.81 CTSB (0.55) MMEMMP2ACEITGB3ITGA2B

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-20220008549-A1 NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE AND ANTIBODY-DRUG CONJUGATE THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-01-13 — — 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-20220008549-A1 NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE AND ANTIBODY-DRUG CONJUGATE THEREOF STING1, CGAS, TLR9 F2 4868/4885AOC3 4066/4885CNR2 1302/4885

“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.

Send feedback