SCHEMBL21884782

SCHEMBL21884782

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.36
CTSK P43235 10/20 0.36
PTPN1 P18031 1/20 0.35
CTSB P07858 4/20 0.35
CTSL P07711 4/20 0.35
HDAC1 Q13547 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TRPA1 O75762 1/20 0.33

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
SCHEMBL23875063 0.85 ALDH1A1 (0.35) HDAC1MEN1MAPTMAPK1KMT2A
SCHEMBL23874986 0.84 KDM4E (0.35) CTSSCTSKPTPN1CTSBCTSL
SCHEMBL23875088 0.84 PTPN1 (0.43) CTSSCTSKPTPN1CTSBCTSL
SCHEMBL21884439 0.83 ALDH1A1 (0.36) MEN1MAPTMAPK1KMT2A
SCHEMBL23874975 0.81 TRPA1 (0.34) CTSSCTSBCTSLTRPA1
SCHEMBL23874997 0.80 TRPA1 (0.38) TRPA1
SCHEMBL23875061 0.79 ALDH1A1 (0.35) CTSSCTSKPTPN1CTSBCTSL
SCHEMBL21884597 0.79 ALDH1A1 (0.37) MEN1MAPTMAPK1KMT2A
SCHEMBL21884426 0.77 PPIA (0.35) MEN1KMT2A
SCHEMBL21884510 0.76 ALDH1A1 (0.33) CTSSCTSKPTPN1CTSBCTSL

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-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
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 (2 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 CTSS 2001/4885CTSK 1627/4885PTPN1 4416/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 CTSS 2324/4885CTSK 2743/4885PTPN1 3112/4885

“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.