SCHEMBL31058628

SCHEMBL31058628

Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)NC(=O)OC(C)(C)C)C(=O)O)c(C)c2c1OC(C)(C)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
CAPN1 P07384 1/20 0.33
PLG P00747 3/20 0.33
PLAU P00749 2/20 0.33
F2 P00734 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
KLK7 P49862 2/20 0.32
KLK5 Q9Y337 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
F10 P00742 1/20 0.31
KLKB1 P03952 1/20 0.31
CXCR3 P49682 1/20 0.31
CA1 P00915 2/20 0.31

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
SCHEMBL30918351 0.97 ALDH1A1 (0.35) ALDH1A1TSHRCTSSCTSKCAPN1
SCHEMBL29401007 0.97 ALDH1A1 (0.39) ALDH1A1TSHRCTSSCTSKCAPN1
SCHEMBL20561238 0.97 ALDH1A1 (0.39) ALDH1A1TSHRCTSSCTSKCAPN1
SCHEMBL15407157 0.97 ALDH1A1 (0.39) ALDH1A1TSHRCTSSCTSKCAPN1
SCHEMBL27429599 0.97 ALDH1A1 (0.39) ALDH1A1TSHRCTSSCTSKCAPN1
SCHEMBL29400475 0.97 ALDH1A1 (0.39) ALDH1A1TSHRCTSSCTSKCAPN1
SCHEMBL30918344 0.96 ALDH1A1 (0.35) ALDH1A1TSHRCTSSCTSKCAPN1
SCHEMBL16893643 0.95 ALDH1A1 (0.41) ALDH1A1TSHRCAPN1PLGPLAU
SCHEMBL31058627 0.93 PLG (0.32) ALDH1A1TSHRCTSSCTSKCAPN1
SCHEMBL15133611 0.92 MMP1 (0.34) ALDH1A1TSHRCTSSCTSKCAPN1

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-20240327457-A1 LIPOPEPTIDES, NANOPARTICLES AND METHODS OF USE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2024-10-03 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 (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-20240327457-A1 LIPOPEPTIDES, NANOPARTICLES AND METHODS OF USE NLN, NDUFAB1, NQO1 ALDH1A1 1816/4885TSHR 2794/4885CTSS 3319/4885

“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.