SCHEMBL4907416

SCHEMBL4907416

CC(C)(C)OC(=O)C(C(=O)O)C(C)(N)Br

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC7A5 Q01650 1/20 0.32
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PTGS1 P23219 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
SCHEMBL17709680 0.83 KMT2A (0.34) KMT2ALMNAMEN1GAACYP1A2
SCHEMBL635058 0.79 KMT2A (0.40) KMT2ALMNAMEN1GAACYP2D6
SCHEMBL635059 0.79 KMT2A (0.40) KMT2ALMNAMEN1GAACYP2D6
SCHEMBL2512446 0.78 DGAT1 (0.36) KMT2AMEN1GAA
SCHEMBL27443096 0.75 CYP1A2 (0.49) KMT2ACYP1A2CYP2D6SLC7A5ITGA4
SCHEMBL2512447 0.75 KMT2A (0.32) KMT2ALMNAMEN1GAACYP1A2
SCHEMBL27809118 0.74 MEN1 (0.35) KMT2AMEN1GAASLC7A5AAK1
SCHEMBL22973162 0.74 MEN1 (0.35) KMT2AMEN1GAASLC7A5AAK1
SCHEMBL4956405 0.73 DGAT1 (0.36) KMT2ALMNAMEN1GAAALDH1A1
SCHEMBL27963780 0.73 KMT2A (0.34) KMT2ALMNAMEN1GAASLC7A5

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-20080045522-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS DOMPE PHA.R.MA S.P.A. (IT) 2008-02-21 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-20080045522-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS C5AR2, C3AR1, C5AR1 KMT2A 4135/4885LMNA 3240/4885MEN1 4814/4885

“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.