SCHEMBL13019134

SCHEMBL13019134

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.46
CTSS P25774 10/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CYP2D6 P10635 1/20 0.45
CTSL P07711 3/20 0.44
CTSB P07858 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 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
SCHEMBL15071352 0.89 CTSK (0.44) CTSKCTSSCA1CA2CA7
SCHEMBL13615487 0.87 CYP1A2 (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL13828997 0.87 CYP1A2 (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL168105 0.87 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL10224757 0.87 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL7279368 0.87 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL13828745 0.87 CYP1A2 (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL12486933 0.87 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL14984731 0.87 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL165346 0.86 CYP1A2 (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271945-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-08-31 US disclosed
US-7842626-B2 Partially fluorinated compositions and surface active agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-30 US disclosed
US-20080113172-A1 Partially fluorinated compositions and surface active agents E. I. DU PONT DE NEMOURS AND COMPANY 2008-05-15 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 (2 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-20080113172-A1 Partially fluorinated compositions and surface active agents FLNB, FLNA, FSCN1 CTSK 1579/4885CTSS 2311/4885CA1 3299/4885
US-20230271945-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, APOB, SAAL1 CTSK 200/4885CTSS 342/4885CA1 4862/4885

“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.