SCHEMBL12954731

SCHEMBL12954731

CC(C)(C)OC(=O)N[C@H](CO)CCCN

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CTSK P43235 8/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ CTSS P25774 2/20 0.39
▸ ATM Q13315 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 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
SCHEMBL3126966 0.95 ITGB3 (0.41) CA1CA2CA7CTSKMEN1
SCHEMBL8027247 0.90 CA1 (0.44) CA1CA2CA7CTSKMEN1
SCHEMBL29108958 0.90 CA1 (0.44) CA1CA2CA7CTSKMEN1
SCHEMBL9811723 0.89 CA1 (0.42) CA1CA2CA7CTSKMEN1
SCHEMBL15623402 0.87 CTSK (0.44) CA1CA2CA7CTSKMEN1
SCHEMBL2296899 0.87 TDP1 (0.49) CA1CA2CA7CTSKMEN1
SCHEMBL2296898 0.87 TDP1 (0.49) CA1CA2CA7CTSKMEN1
SCHEMBL28323890 0.87 TDP1 (0.49) CA1CA2CA7CTSKMEN1
SCHEMBL4850000 0.86 CTSK (0.49) CA1CA2CTSKMEN1GAA
SCHEMBL8042680 0.85 TDP1 (0.51) CA1CA2CA7CTSKMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364251-A1 METHODS FOR THE SYNTHESIS OF PROTEIN-DRUG CONJUGATES CIDARA THERAPEUTICS, INC. 2023-11-16 — — US disclosed
US-20230364251-A1 METHODS FOR THE SYNTHESIS OF PROTEIN-DRUG CONJUGATES CIDARA THERAPEUTICS, INC. 2023-11-16 — — US disclosed
WO-2022133281-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. (US) 2022-06-23 — — WO disclosed
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 — — EP disclosed
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 — — US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 — — US disclosed
CN-101090909-A Antibacterial amide macrocycles IV AICURIS GMBH & CO KG (DE) 2007-12-19 — — CN 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-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC CA1 4535/4885CA2 4332/4885CA7 4409/4885
US-20230364251-A1 METHODS FOR THE SYNTHESIS OF PROTEIN-DRUG CONJUGATES DNPEP, NPEPPS, DHFR CA1 3782/4885CA2 4090/4885CA7 3216/4885

“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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