SCHEMBL3174534

SCHEMBL3174534

C[C@H](N)C(=O)Nc1ccc(OC(=O)C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.52
TAAR1 Q96RJ0 2/20 0.51
XIAP P98170 1/20 0.51
MLYCD O95822 1/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
GLA P06280 2/20 0.42
CIT O14578 1/20 0.41
EPHX2 P34913 1/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
CASP6 P55212 1/20 0.40

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
SCHEMBL15623783 0.79 XIAP (0.68) LTA4HTAAR1XIAPMEN1KMT2A
SCHEMBL16981649 0.78 HTT (0.66) LTA4HTAAR1XIAPMEN1KMT2A
SCHEMBL3167613 0.76 TAAR1 (0.66) LTA4HTAAR1XIAPMEN1KMT2A
Hydrochloric Acid SCHEMBL11587657 0.75 EPHX2 (0.58) TAAR1MEN1KMT2AHTTEPHX2
SCHEMBL8274716 0.74 TAAR1 (0.64) LTA4HTAAR1XIAPMEN1KMT2A
SCHEMBL15680102 0.74 XIAP (0.62) LTA4HTAAR1XIAPMEN1KMT2A
SCHEMBL16888002 0.74 XIAP (0.62) LTA4HTAAR1XIAPMEN1KMT2A
SCHEMBL11642853 0.74 XIAP (0.70) LTA4HTAAR1XIAPHTTALDH1A1
SCHEMBL11665786 0.74 XIAP (0.62) LTA4HTAAR1XIAPMEN1KMT2A
SCHEMBL11645678 0.74 XIAP (0.62) LTA4HTAAR1XIAPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645792-B2 Prodrugs of propofol, compositions and uses thereof XENOPORT, INC. (US) 2010-01-12 US disclosed
US-7241807-B2 Prodrugs of propofol, compositions and uses thereof XENOPORT, INC. (US) 2007-07-10 US disclosed
US-20060041011-A1 Prodrugs of propofol, compositions and uses thereof XENOPORT, INC. 2006-02-23 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-20060041011-A1 Prodrugs of propofol, compositions and uses thereof CYP2C19, CYP3A5, CYP3A4 LTA4H 1125/4885TAAR1 2765/4885XIAP 3936/4885

“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.