SCHEMBL18544644

SCHEMBL18544644

CN(CCCNC(=O)CC(C)(C)COCC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O)CCCNC(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL18544643 0.91 AKT1 (0.31)
SCHEMBL18544369 0.81 HDAC3 (0.31) POLB
SCHEMBL24340793 0.81 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2A
SCHEMBL18544376 0.80 CNR1 (0.33)
SCHEMBL24340762 0.79 MGLL (0.32) MEN1KMT2A
SCHEMBL25839762 0.79 POLB (0.39) SMN1; SMN2MEN1KMT2APOLB
SCHEMBL22135513 0.78 MGLL (0.33) MEN1KMT2A
SCHEMBL23207887 0.78
SCHEMBL24340893 0.77 MGLL (0.32) MEN1KMT2A
SCHEMBL26019227 0.77 POLB (0.31) POLB

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-20170049908-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES CENTROSE LLC (US) 2017-02-23 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-20170049908-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES ENTPD1, ENTPD2, ENTPD3 USP2 1615/4885SMN1; SMN2 3900/4885MEN1 4195/4885

“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.