SCHEMBL21884510

SCHEMBL21884510

CC(C)(C)OC(=O)/N=C(\NCCF)NC(=O)c1c(O)ccc(C#N)c1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
CTSS P25774 8/20 0.32
CTSK P43235 6/20 0.32
HDAC1 Q13547 1/20 0.32
CTSB P07858 2/20 0.32
CTSL P07711 1/20 0.32
AR P10275 1/20 0.32
PTPN1 P18031 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
PPIA P62937 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 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
SCHEMBL23875061 0.87 ALDH1A1 (0.35) ALDH1A1LMNACTSSCTSKHDAC1
SCHEMBL21884507 0.86 XDH (0.38) CTSSPTPN1
SCHEMBL21884426 0.80 PPIA (0.35) LMNAARPPIADRD2
SCHEMBL21884782 0.76 CTSS (0.36) CTSSCTSKHDAC1CTSBCTSL
SCHEMBL23875033 0.75 XDH (0.39) CTSSPTPN1
SCHEMBL23875060 0.74 XDH (0.39) CTSSPTPN1
SCHEMBL23875156 0.73 PPIA (0.31) PPIA
SCHEMBL23875064 0.71 XDH (0.39) CTSSPTPN1
SCHEMBL23875034 0.70 XDH (0.38) ALDH1A1CTSSPTPN1GAA
SCHEMBL21884439 0.69 ALDH1A1 (0.36) ALDH1A1LMNAARHPGDPPIA

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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 ALDH1A1 1823/4885LMNA 1819/4885CTSS 2001/4885

“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.