SCHEMBL14453090

SCHEMBL14453090

C[C@@H](OC(C)(C)C)C(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.49
CTSS P25774 5/20 0.49
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CYP2D6 P10635 1/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
PREP P48147 1/20 0.40
TRPA1 O75762 1/20 0.39
TSHR P16473 1/20 0.38
PYGL P06737 2/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6476152 1.00 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL14039301 1.00 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL2395128 1.00 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL8222608 1.00 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL6640994 1.00 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL2418915 1.00 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL14038647 1.00 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL21527698 0.87 PYGL (0.38) CTSKCTSSPYGLCYP2C9
SCHEMBL238481 0.87 PYGL (0.38) CTSKCTSSPYGLCYP2C9
SCHEMBL1536324 0.86 CTSK (0.49) CTSKCTSSCA1CA2CA7

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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 CTSK 297/4885CTSS 138/4885CA1 510/4885

“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.