SCHEMBL23626318

SCHEMBL23626318

CC(C)(C)OC(=O)/N=C(/NCCCCNC(=O)C(CCCN/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.49
CTSS P25774 6/20 0.49
CAPN1 P07384 1/20 0.46
CA2 P00918 5/20 0.44
CA1 P00915 4/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CXCR3 P49682 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL25502552 0.94 CTSK (0.45) CTSKCTSSCAPN1CA2CA1
SCHEMBL22906234 0.94 CTSK (0.46) CTSKCTSSCAPN1CA2CA1
SCHEMBL253303 0.94 SIRT1 (0.46) CTSKCTSSCAPN1CA2CA1
SCHEMBL253304 0.94 SIRT1 (0.46) CTSKCTSSCAPN1CA2CA1
SCHEMBL16572281 0.93 CTSS (0.48) CTSKCTSSCAPN1CA2CA1
SCHEMBL16504508 0.93 CTSS (0.48) CTSKCTSSCAPN1CA2CA1
SCHEMBL16572287 0.93 CTSS (0.48) CTSKCTSSCAPN1CA2CA1
SCHEMBL16504607 0.93 CTSS (0.48) CTSKCTSSCAPN1CA2CA1
SCHEMBL10316221 0.93 CTSK (0.46) CTSKCTSSCAPN1CA2CA1
SCHEMBL16504677 0.93 CTSS (0.48) CTSKCTSSCAPN1CA2CA1

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-11655210-B2 Compound for improving L-arginine bioavailability THE GENERAL HOSPITAL CORPORATION (US) 2023-05-23 US disclosed
US-11655210-B2 Compound for improving L-arginine bioavailability THE GENERAL HOSPITAL CORPORATION (US) 2023-05-23 US disclosed
US-20210206717-A1 Compound for Improving L-Arginine Bioavailability THE GENERAL HOSPITAL CORPORATION 2021-07-08 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 (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-20210206717-A1 Compound for Improving L-Arginine Bioavailability ARG1, ARG2, NOS2 CTSK 2605/4885CTSS 3852/4885CAPN1 3214/4885
US-11655210-B2 Compound for improving L-arginine bioavailability ARG1, ARG2, NOS2 CTSK 2605/4885CTSS 3852/4885CAPN1 3214/4885

“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.