SCHEMBL24191597

SCHEMBL24191597

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ QRFPR Q96P65 8/20 0.54
▸ C3AR1 Q16581 1/20 0.52
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ SHMT1 P34896 1/20 0.42
▸ CALCRL Q16602 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ F2 P00734 1/20 0.41
▸ GNPAT O15228 1/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ PTGER4 P35408 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL23629840 0.86 QRFPR (0.57) QRFPRC3AR1GNPATPTGER4
SCHEMBL24191552 0.86 F2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4F2
SCHEMBL24191596 0.85 CTSK (0.50) QRFPRC3AR1CHRNB2CHRNB4CHRNA3
SCHEMBL24191702 0.82 LTA4H (0.52) —
SCHEMBL29590419 0.82 QRFPR (0.60) QRFPRGNPAT
SCHEMBL29405927 0.82 LNPEP (0.52) C3AR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29405428 0.80 LNPEP (0.55) C3AR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7471967 0.80 C3AR1 (0.62) C3AR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7442230 0.80 C3AR1 (0.62) C3AR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3961412 0.79 QRFPR (0.46) QRFPRC3AR1

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 QRFPR 900/4885C3AR1 143/4885CHRNB2 489/4885

“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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