SCHEMBL6480041

SCHEMBL6480041

CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(c2c(O)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 7/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RET P07949 1/20 0.31
GAA P10253 1/20 0.31
JAK2 O60674 2/20 0.30
JAK1 P23458 2/20 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
SCHEMBL6486743 0.93 KAT8 (0.32) KAT8RETJAK2JAK1
SCHEMBL6175126 0.90 EIF2AK4 (0.37) KMT2AL3MBTL1GAAJAK2JAK1
SCHEMBL6170568 0.84 RET (0.31) KAT8RETJAK2JAK1
SCHEMBL6169447 0.84 EIF2AK4 (0.35) KMT2ARETJAK2JAK1
Hydrochloric Acid SCHEMBL6169685 0.82 KCNH2 (0.31)
SCHEMBL6481640 0.82 DPP4 (0.33) KMT2ARET
Trifluoroacetic Acid SCHEMBL6177905 0.79 EIF2AK4 (0.35)
SCHEMBL7506081 0.79 SCN5A (0.38)
SCHEMBL7501829 0.79 SCN5A (0.38)
SCHEMBL6169430 0.76 EIF2AK4 (0.35) KMT2ARETJAK2JAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900224-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2005-05-31 US disclosed
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2004-02-26 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-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 KAT8 2673/4885KMT2A 4196/4885L3MBTL1 3861/4885

“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.