SCHEMBL4555890

SCHEMBL4555890

CC[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.46
CTSS P25774 7/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CTSL P07711 2/20 0.42
CYP2D6 P10635 1/20 0.41
CTSB P07858 1/20 0.40
KMT2A Q03164 2/20 0.40
APLNR P35414 1/20 0.40
MEN1 O00255 1/20 0.37
GAA P10253 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
SCHEMBL16057398 0.83 CA1 (0.44) CTSKCTSSCA1CA2CA7
SCHEMBL9509419 0.80 CA1 (0.40) CTSKCTSSCA1CA2CA7
SCHEMBL23909484 0.77 CTSK (0.42) CTSKCTSSCA1CA2CA7
SCHEMBL23909482 0.77 CTSK (0.42) CTSKCTSSCA1CA2CA7
SCHEMBL5141071 0.77 CA1 (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL23909471 0.76 CTSK (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL23909472 0.76 CTSK (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL29255570 0.75 CYP1A2 (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL9512401 0.75 CYP1A2 (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL3933529 0.74 CYP2C19 (0.31)

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-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 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-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 CTSK 95/4885CTSS 83/4885CA1 948/4885

“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.