SCHEMBL25447013

SCHEMBL25447013

CCC(C)(C)C(=O)NCCNC(=O)Cn1cc(C(=O)NCCNC(=O)C(C)(C)C)nn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.37
MAPK1 P28482 2/20 0.36
SMYD3 Q9H7B4 1/20 0.36
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
ACKR3 P25106 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
GLS O94925 5/20 0.33
RIPK1 Q13546 1/20 0.33
MAPK14 Q16539 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
SCHEMBL21206316 0.93 SMYD3 (0.40) GLAMAPK1SMYD3CYP2C19MEN1
SCHEMBL25447017 0.91 GLS (0.38) GLAMAPK1SMYD3CYP2C19MEN1
SCHEMBL24125043 0.88 SMYD3 (0.37) GLAMAPK1SMYD3CYP2C19MEN1
SCHEMBL23943180 0.85 MAPK1 (0.36) GLAMAPK1SMYD3CYP2C19MEN1
SCHEMBL21206323 0.77 CYP2C19 (0.35) CYP2C19ALDH1A1LMNAGLS
SCHEMBL26409868 0.76 CYP2C19 (0.42) CYP2C19ALDH1A1LMNAGLS
SCHEMBL20046976 0.67 ALDH1A1 (0.52) GLAMAPK1MEN1TSHRKMT2A
SCHEMBL15274453 0.66 LMNA (0.47) MAPK1CYP2C19TSHRKMT2AACKR3
SCHEMBL4782298 0.66 SMYD3 (0.40) GLAMAPK1SMYD3CYP2C19ALDH1A1
SCHEMBL14153992 0.66 RIPK1 (0.52) MEN1TSHRKMT2AALDH1A1LMNA

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-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN GLYCOMIMETICS, INC. (US) 2023-05-11 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-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN SELP, SELE, SELPLG GLA 1222/4885MAPK1 3462/4885SMYD3 3391/4885

“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.