SCHEMBL26558586

SCHEMBL26558586

O=C(CO)NCCn1cnc2c(ncn2[C@H]2CC[C@@H](COP(=O)(O)S)O2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ALB P02768 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.37
TYMP P19971 3/20 0.33
KRAS P01116 1/20 0.31

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
SCHEMBL21133324 0.83 ALDH1A1 (0.38) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL24191276 0.82 P2RX3 (0.40) ALDH1A1LMNAALBMAPK1
SCHEMBL21362282 0.81 ALDH1A1 (0.44) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL21132765 0.79 ALDH1A1 (0.38) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL21132756 0.79 ALDH1A1 (0.38) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL26558641 0.78 AURKA (0.30)
SCHEMBL21132949 0.74 ALDH1A1 (0.69) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL21417395 0.74 ALDH1A1 (0.69) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL21362217 0.74 ALDH1A1 (0.46) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL22219806 0.73 TAS1R3 (0.54) ALDH1A1LMNAALBMAPK1

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-20230330248-A1 ANTIBODY-DRUG CONJUGATE INCLUDING NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-10-19 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-20230330248-A1 ANTIBODY-DRUG CONJUGATE INCLUDING NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE STING1, CGAS, TLR9 ALDH1A1 3436/4885LMNA 3340/4885ALB 4082/4885

“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.