SCHEMBL21676408

SCHEMBL21676408

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.62
CTSS P25774 2/20 0.62
CA2 P00918 2/20 0.50
CA1 P00915 1/20 0.50
CA7 P43166 1/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
PSENEN Q9NZ42 1/20 0.47
PREP P48147 1/20 0.47
TRPA1 O75762 2/20 0.46
CYP2D6 P10635 1/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL30064660 0.86 CTSK (0.59) CTSKCTSSCA2CA1CA7
SCHEMBL7018649 0.86 CTSK (0.63) CTSKCTSSCA2CA1CA7
SCHEMBL7345607 0.86 CTSK (0.63) CTSKCTSSCA2CA1CA7
SCHEMBL3087516 0.86 CTSK (0.63) CTSKCTSSCA2CA1CA7
SCHEMBL7330229 0.86 CTSK (0.59) CTSKCTSSCA2CA1CA7
SCHEMBL22371979 0.86 CTSK (0.63) CTSKCTSSCA2CA1CA7
SCHEMBL22371978 0.86 CTSK (0.63) CTSKCTSSCA2CA1CA7
SCHEMBL22371977 0.86 CTSK (0.63) CTSKCTSSCA2CA1CA7
SCHEMBL15671593 0.86 CTSK (0.63) CTSKCTSSCA2CA1CA7
SCHEMBL7345617 0.86 CTSK (0.63) CTSKCTSSCA2CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient DONG WHA PHARM. CO., LTD. (KR) 2021-06-08 US disclosed
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-02-06 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-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient BRD4, BET1, BRD3 CTSK 2845/4885CTSS 3877/4885CA2 3782/4885
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient BRD4, BET1, BRD3 CTSK 2831/4885CTSS 3630/4885CA2 3941/4885

“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.