SCHEMBL23875083

SCHEMBL23875083

CC(C)(C)OC(=O)NC(N)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CTSK P43235 11/20 0.44
CYP2D6 P10635 1/20 0.44
CTSS P25774 5/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
APLNR P35414 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL1303375 0.84 CA1 (0.53) CA1CA2CA7CTSKCYP2D6
SCHEMBL25534687 0.84 CA1 (0.48) CA1CA2CA7CTSKCYP2D6
SCHEMBL13483182 0.82 CA1 (0.47) CA1CA2CA7CTSKCYP2D6
Hydrochloric Acid SCHEMBL16632537 0.82 CA1 (0.52) CA1CA2CA7CTSKCYP2D6
SCHEMBL18681497 0.80 CA1 (0.46) CA1CA2CA7CTSKCYP2D6
SCHEMBL14923484 0.80 CA1 (0.50) CA1CA2CA7CTSKCYP2D6
SCHEMBL14923728 0.80 CA1 (0.50) CA1CA2CA7CTSKCYP2D6
SCHEMBL14923533 0.80 CA1 (0.50) CA1CA2CA7CTSKCYP2D6
SCHEMBL22383165 0.80 CA1 (0.50) CA1CA2CA7CTSKCYP2D6
SCHEMBL17564382 0.80 CA1 (0.50) CA1CA2CA7CTSKCYP2D6

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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 CA1 2338/4885CA2 895/4885CA7 2050/4885

“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.