SCHEMBL6185014

SCHEMBL6185014

COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.51
CTSS P25774 4/20 0.51
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
AGTR1 P30556 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ATM Q13315 1/20 0.45
ACE P12821 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRB2 P47870 1/20 0.43

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
SCHEMBL4712952 1.00 CTSK (0.51) CTSKCTSSMAPTALDH1A1LMNA
SCHEMBL27488331 1.00 CTSK (0.51) CTSKCTSSMAPTALDH1A1LMNA
SCHEMBL4583120 0.89 CTSK (0.53) CTSKCTSSMAPTATMACE
SCHEMBL17844782 0.88 TSHR (0.50) CTSKCTSSMAPTALDH1A1TSHR
SCHEMBL31633773 0.87 CTSK (0.52) CTSKCTSSMAPTALDH1A1LMNA
SCHEMBL1573513 0.87 CTSK (0.52) CTSKCTSSMAPTALDH1A1LMNA
SCHEMBL5862217 0.87 CTSK (0.52) CTSKCTSSMAPTALDH1A1LMNA
SCHEMBL1783805 0.87 CTSK (0.52) CTSKCTSSMAPTALDH1A1LMNA
SCHEMBL89597 0.86 CTSK (0.51) CTSKCTSSMAPTATMCTSL
SCHEMBL90359 0.86 CTSK (0.51) CTSKCTSSMAPTATMCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256166-A1 Nitrogen-containing compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1535906-A1 NITROGEN-CONTAINING COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-01 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-20050256166-A1 Nitrogen-containing compounds DPP4, DPP3, DPP8 CTSK 2896/4885CTSS 1560/4885MAPT 2743/4885

“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.