SCHEMBL19068560

SCHEMBL19068560

CCCCOC(=O)[C@H](CCc1ccccc1)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.52
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.47
▸ SIRT3 Q9NTG7 1/20 0.47
▸ CTSS P25774 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MMP1 P03956 1/20 0.45
▸ MMP3 P08254 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 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
SCHEMBL23008180 1.00 CTSK (0.52) CTSKSIRT2SIRT1SIRT3CTSS
SCHEMBL12433264 0.86 CTSK (0.51) CTSKCTSSMAPTMEN1KMT2A
SCHEMBL4426973 0.86 CTSK (0.51) CTSKCTSSMAPTMEN1KMT2A
SCHEMBL22877143 0.85 CTSK (0.49) CTSKCTSSMAPTMEN1KMT2A
SCHEMBL15384071 0.84 CTSK (0.48) CTSKCTSSMAPTMEN1KMT2A
SCHEMBL3498752 0.80 MAPT (0.56) SIRT2SIRT1SIRT3MAPTMEN1
SCHEMBL27330377 0.79 CTSK (0.57) CTSKCTSSMAPTMEN1KMT2A
SCHEMBL30841329 0.79 CTSK (0.57) CTSKCTSSMAPTMEN1KMT2A
SCHEMBL29182124 0.78 SIGMAR1 (0.50) CTSKCTSSMAPTMEN1KMT2A
SCHEMBL27330766 0.78 MMP1 (0.54) CTSKCTSSMAPTMEN1KMT2A

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
EP-2847214-B1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS CODEXIS INC (US) 2017-12-27 — — EP disclosed
US-20170355966-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS CODEXIS, INC. (US) 2017-12-14 — — US disclosed
US-9828614-B1 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2017-11-28 — — US disclosed
US-9822346-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2017-11-21 — — US disclosed
US-9803224-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2017-10-31 — — US disclosed
US-20170268028-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2017-09-21 — — US disclosed
US-9695451-B2 Polynucleotides encoding engineered imine reductases CODEXIS, INC. (US) 2017-07-04 — — 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-20170355966-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS AKR1C4, AKR7A2, AKR1C2 CTSK 4397/4885SIRT2 1655/4885SIRT1 1940/4885

“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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