SCHEMBL27104564

SCHEMBL27104564

CC(C)(C)NC(CCC(=O)NCC(O)C(O)C(O)C(O)CO)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ USP2 O75604 1/20 0.35
▸ SLCO1B1 Q9Y6L6 1/20 0.35
▸ MMP2 P08253 4/20 0.34
▸ MMP9 P14780 4/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NOD1 Q9Y239 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL20224390 0.89 KDM4E (0.37) KDM4EPDE4AGPBAR1ALDH1A1
SCHEMBL27102458 0.89 NOD1 (0.37) MMP2MMP9MMP8MMP12MMP14
SCHEMBL27104562 0.89 KDM4E (0.37) KDM4EPDE4AGPBAR1ALDH1A1
SCHEMBL31370383 0.85 KDM4E (0.43) KDM4EPDE4AUSP2SLCO1B1MMP2
SCHEMBL25000728 0.82 KDM4E (0.31) KDM4EGPBAR1
SCHEMBL26438959 0.81 GPBAR1 (0.32) KDM4EGPBAR1
SCHEMBL20224695 0.81 GPBAR1 (0.33) KDM4EGPBAR1
SCHEMBL21728970 0.81 BMP1 (0.32) —
SCHEMBL27424424 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL21728997 0.78 FOLH1 (0.31) —

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-20240067640-A1 PHENYL MALEIMIDE LINKER AGENTS FIREFLY BIO, INC. 2024-02-29 — — 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-20240067640-A1 PHENYL MALEIMIDE LINKER AGENTS TPX2, H1-4, MAPT KDM4E 743/4885PDE4A 1000/4885USP2 3595/4885

“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.

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