SCHEMBL14445784

SCHEMBL14445784

CC(C)NCCCC[C@@H](NC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ ITGB3 P05106 2/20 0.36
▸ ITGA2B P08514 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ARG1 P05089 1/20 0.34
▸ ARG2 P78540 1/20 0.34
▸ CPB2 Q96IY4 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 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
SCHEMBL19483310 0.85 ITGB3 (0.34) KDM4EALDH1A1ITGB3ITGA2BTDP1
SCHEMBL19483313 0.85 ITGB3 (0.34) KDM4EALDH1A1ITGB3ITGA2BTDP1
SCHEMBL23695701 0.83 CPB2 (0.37) KDM4EALDH1A1ITGB3ITGA2BTDP1
SCHEMBL13884310 0.82 FOLH1 (0.40) FOLH1KDM4EITGB3ITGA2BNOD1
SCHEMBL26743884 0.82 CPB2 (0.40) FOLH1NOD1SMN1; SMN2CPB2MEN1
SCHEMBL18377220 0.82 FOLH1 (0.40) FOLH1KDM4EALDH1A1ITGB3ITGA2B
SCHEMBL13262513 0.82 FOLH1 (0.40) FOLH1KDM4EALDH1A1ITGB3ITGA2B
SCHEMBL22309224 0.81 FOLH1 (0.39) FOLH1KDM4EALDH1A1ITGB3ITGA2B
SCHEMBL24225804 0.81 FOLH1 (0.42) FOLH1KDM4EALDH1A1NOD1SMN1; SMN2
SCHEMBL19776895 0.80 NOD1 (0.42) FOLH1ITGB3ITGA2BNOD1SMN1; SMN2

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-20070196859-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-08-23 — — 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-20070196859-A1 Novel antibacterial agents ENGASE, PEPD, PGLS FOLH1 75/4885KDM4E 2434/4885ALDH1A1 1953/4885

“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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