SCHEMBL21403573

SCHEMBL21403573

CC(C)(S)C(NCCNC(C(=O)O)C(C)(C)S)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
PTGS1 P23219 1/20 0.43
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
PTGS2 P35354 1/20 0.30
THPO P40225 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MME P08473 1/20 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
SCHEMBL31196416 0.86 ALOX15 (0.38) ALDH1A1MAPTPTGS1ALOX15SMN1; SMN2
SCHEMBL8769242 0.84 ALDH1A1 (0.41) ALDH1A1MAPTPTGS1
SCHEMBL30980900 0.83 EPHX1 (0.41) MAPTSMN1; SMN2
SCHEMBL30980846 0.83 EPHX1 (0.41) MAPTSMN1; SMN2
SCHEMBL3109035 0.78 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1MEN1KMT2A
SCHEMBL504480 0.78 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1KDM4ETHRB
SCHEMBL14935873 0.78 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1KDM4ETHRB
SCHEMBL28235238 0.78 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1SMN1; SMN2
SCHEMBL970354 0.78 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1SMN1; SMN2
SCHEMBL431467 0.78 NAMPT (0.35) ALDH1A1MAPTPTGS1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12534489-B2 Ionic solid JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2026-01-27 US disclosed
US-20220135607-A1 IONIC SOLID JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2022-05-05 US disclosed
US-20190304635-A1 NOVEL DIELECTRIC MATERIAL JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2019-10-03 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 (3 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-12534489-B2 Ionic solid ADH1C, ADM2, SLC2A1 ALDH1A1 493/4885MAPT 3620/4885PTGS1 1083/4885
US-20190304635-A1 NOVEL DIELECTRIC MATERIAL EPCAM, KCNN2, VDAC1 ALDH1A1 4360/4885MAPT 1921/4885PTGS1 4592/4885
US-20220135607-A1 IONIC SOLID NUP160, NUP188, NUP210 ALDH1A1 4463/4885MAPT 3418/4885PTGS1 2521/4885

“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.