SCHEMBL22657804

SCHEMBL22657804

NCCNC(=O)CNC(=O)CNC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.34
CYP2C9 P11712 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 2/20 0.33
TSHR P16473 2/20 0.33
MAOB P27338 2/20 0.33
NFKB1 P19838 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SLC6A5 Q9Y345 2/20 0.31
CYP2D6 P10635 2/20 0.31
PAOX Q6QHF9 2/20 0.30
ECE1 P42892 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TERT O14746 2/20 0.30

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
SCHEMBL27189625 1.00 CYP2C19 (0.34) CYP2C19CYP2C9ALDH1A1HPGDALOX15
SCHEMBL18261692 0.98 CYP2C19 (0.36) CYP2C19CYP2C9ALDH1A1HPGDALOX15
SCHEMBL14756369 0.84 TERT (0.39) CYP2C19CYP2C9ALDH1A1HPGDALOX15
SCHEMBL19493936 0.84 TERT (0.39) CYP2C19CYP2C9ALDH1A1HPGDALOX15
SCHEMBL24893151 0.81 PHF8 (0.45) ALDH1A1CYP1A2TSHRNFKB1KMT2A
SCHEMBL19553990 0.81 POLB (0.34) MEN1KMT2APOLB
SCHEMBL19734583 0.80 CA1 (0.42) CYP2C19CYP2C9ALDH1A1HPGDALOX15
SCHEMBL29173783 0.80 TERT (0.37) ALDH1A1TERTPOLB
SCHEMBL27189681 0.80 TERT (0.37) ALDH1A1TERTPOLB
SCHEMBL322077 0.80

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
US-20220409734-A1 ANTIBODY DRUG CONJUGATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-29 US disclosed
WO-2020229982-A1 ANTIBODY DRUG CONJUGATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-11-19 WO 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-20220409734-A1 ANTIBODY DRUG CONJUGATES STING1, CGAS, TBK1 CYP2C19 2488/4885CYP2C9 2944/4885ALDH1A1 4069/4885

“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.