SCHEMBL4163071

SCHEMBL4163071

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nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.43
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
CASR P41180 1/20 0.35
DPP8 Q6V1X1 3/20 0.31
DPP7 Q9UHL4 2/20 0.31
DPP4 P27487 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
SCHEMBL25019679 0.76 TSHR (0.31)
SCHEMBL359980 0.76 TSHR (0.31)
SCHEMBL28327923 0.76 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1CASR
SCHEMBL11104417 0.74 DPP4 (0.36) DPP4
Ammonia Solution, Strong SCHEMBL3675032 0.74
Valine SCHEMBL1761381 0.74 SLC7A5 (0.71) SLC7A5SLC1A3SLC1A2SLC1A1DPP8
SCHEMBL5218767 0.74 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1CASR
SCHEMBL19812415 0.74 TP53 (0.33)
SCHEMBL678145 0.74 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1CASR
SCHEMBL3449733 0.74 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1CASR

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
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP 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-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 SLC7A5 405/4885SLC1A3 3634/4885SLC1A2 3765/4885

“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.