SCHEMBL21676258

SCHEMBL21676258

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.38
CTSS P25774 1/20 0.38
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
CA9 Q16790 1/20 0.34
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL20440143 0.84 CTSS (0.38) CTSKCTSSHTTTSHRMMP1
SCHEMBL15116402 0.83 CA12 (0.41) CTSKCTSSTSHRCA12CA1
SCHEMBL15116432 0.83 CA12 (0.41) CTSKCTSSTSHRCA12CA1
SCHEMBL4745432 0.83 CTSS (0.39) CTSKCTSSHTT
SCHEMBL1106982 0.80 TSHR (0.46) HTTTSHRCA12CA1CA2
SCHEMBL5552041 0.79 NPSR1 (0.42) CTSKCTSSHTTTSHRCA1
SCHEMBL1729385 0.79 NPSR1 (0.42) CTSKCTSSHTTTSHRCA1
SCHEMBL903601 0.79 NPSR1 (0.42) CTSKCTSSHTTTSHRCA1
SCHEMBL13192726 0.79 HTT (0.38) CTSKCTSSHTTTSHRCA12
SCHEMBL10441262 0.79 TSHR (0.42) CTSKCTSSHTTTSHRCA12

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 3877/4885HTT 1733/4885
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 3630/4885HTT 1652/4885

“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.