SCHEMBL29323066

SCHEMBL29323066

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CTSK P43235 12/20 0.42
▸ CTSS P25774 4/20 0.42
▸ CYP2D6 P10635 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ SYK P43405 1/20 0.38
▸ CAPN1 P07384 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ ATM Q13315 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
SCHEMBL12336373 0.89 CA1 (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL29323075 0.86 CA1 (0.45) CA1CA2CA7CTSKCTSS
SCHEMBL4598803 0.85 CA1 (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL2714283 0.85 CA1 (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL2075999 0.85 CA1 (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL2293242 0.85 CTSK (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL2290326 0.85 CTSK (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL858081 0.85 CTSK (0.46) CA1CA2CA7CTSKCTSS
Hydrochloric Acid SCHEMBL1459125 0.83 CTSK (0.45) CA1CA2CA7CTSKCTSS
SCHEMBL2846888 0.83 CA1 (0.50) CA1CA2CA7CTSKCTSS

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-20240239771-A1 BACTERIAL EFFLUX PUMP INHIBITORS TAXIS PHARMACEUTICALS, INC. 2024-07-18 — — 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-20240239771-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 CA1 4555/4885CA2 2096/4885CA7 2247/4885

“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.

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