SCHEMBL21676397

SCHEMBL21676397

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CA9 Q16790 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
MLYCD O95822 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
DPP4 P27487 1/20 0.31
FAP Q12884 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31

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
SCHEMBL21676406 0.89 CA12 (0.35) CA12CA1CA2MMP1MMP2
SCHEMBL10675499 0.78
SCHEMBL23135540 0.78
SCHEMBL24050459 0.76
SCHEMBL3893336 0.75
SCHEMBL20440488 0.74
SCHEMBL10686030 0.74
SCHEMBL10677690 0.74
SCHEMBL12724859 0.72 CA12 (0.40) CA12CA1CA2MMP1MMP2
SCHEMBL18909885 0.72 CA12 (0.40) CA12CA1CA2MMP1MMP2

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 CA12 4739/4885CA1 4114/4885CA2 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 CA12 4741/4885CA1 4192/4885CA2 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.