SCHEMBL13625105

SCHEMBL13625105

COC(=O)[C@@H](CNCl)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.60
ALDH1A1 P00352 1/20 0.58
ALOX15 P16050 1/20 0.58
CTSK P43235 5/20 0.54
CTSS P25774 4/20 0.53
CTSL P07711 3/20 0.53
CTSB P07858 3/20 0.53
TRPM8 Q7Z2W7 1/20 0.52
TACR1 P25103 2/20 0.51
CTRB1 P17538 2/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL13369139 1.00 KYNU (0.60) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL18328213 0.89 KYNU (0.63) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL29095981 0.89 KYNU (0.63) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL24130581 0.87 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL3249670 0.87 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL24130582 0.87 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL6498057 0.87 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL7494359 0.85 KYNU (0.59) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL8438037 0.85 ALDH1A1 (0.60) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL7494365 0.85 KYNU (0.59) KYNUALDH1A1ALOX15CTSKCTSS

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-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 KYNU 4016/4885ALDH1A1 231/4885ALOX15 1325/4885

“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.