SCHEMBL23943180

SCHEMBL23943180

CC(C)C(=O)NCCNC(=O)c1cn(CC(=O)NCCNC(=O)C(C)(C)C)nn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
CYP2C19 P33261 1/20 0.35
GLA P06280 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GLS O94925 8/20 0.33
MAPK14 Q16539 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL21206316 0.92 SMYD3 (0.40) MAPK1MEN1TSHRKMT2ASMYD3
SCHEMBL24125043 0.87 SMYD3 (0.37) MAPK1MEN1TSHRKMT2ASMYD3
SCHEMBL25447017 0.87 GLS (0.38) MAPK1MEN1TSHRKMT2ASMYD3
SCHEMBL25447013 0.85 GLA (0.37) MAPK1MEN1TSHRKMT2ASMYD3
SCHEMBL26409868 0.75 CYP2C19 (0.42) CYP2C19ALDH1A1LMNAGLS
SCHEMBL13154688 0.71 TSHR (0.41) MAPK1MEN1TSHRKMT2ACYP2C19
SCHEMBL24334700 0.71 GLS (0.48) MAPK1CYP2C19GLS
SCHEMBL25446979 0.67 KMT2A (0.38) MAPK1MEN1TSHRKMT2ACYP2C19
SCHEMBL10074426 0.66 POLB (0.46) MEN1KMT2ACYP2C19ALDH1A1SMN1; SMN2
SCHEMBL4782298 0.66 SMYD3 (0.40) MAPK1SMYD3CYP2C19GLAALDH1A1

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-20230365609-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2023-11-16 US disclosed
US-11780873-B2 Highly potent multimeric e-selectin antagonists GLYCOMIMETICS, INC. (US) 2023-10-10 US disclosed
US-20210323990-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2021-10-21 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 (3 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-20210323990-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG MAPK1 3831/4885MEN1 2861/4885TSHR 2178/4885
US-11780873-B2 Highly potent multimeric e-selectin antagonists SELE, SELP, SELPLG MAPK1 3949/4885MEN1 2369/4885TSHR 1887/4885
US-20230365609-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG MAPK1 3831/4885MEN1 2861/4885TSHR 2178/4885

“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.