SCHEMBL21676282

SCHEMBL21676282

CCC(C)OC(=O)NC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
ADRA1A P35348 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTSK P43235 8/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
MEN1 O00255 1/20 0.36
FAAH O00519 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.36
CTSH P09668 1/20 0.35
EPHX1 P07099 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 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
SCHEMBL29001182 0.84 MMP1 (0.45) ALDH1A1RAB9ACTSKMEN1MAPK1
Hydrochloric Acid SCHEMBL23248482 0.83 MMP1 (0.44) ALDH1A1RAB9ACTSKMEN1MAPK1
SCHEMBL27431828 0.83 CTSK (0.38) CTSKCTSLCTSBALOX15CTSH
SCHEMBL6936558 0.80 TSHR (0.37) ALDH1A1TSHRLMNACYP3A4NFKB1
SCHEMBL8466272 0.79
SCHEMBL10645145 0.79
SCHEMBL5639012 0.79
SCHEMBL5845949 0.78 NPSR1 (0.45) ALDH1A1LMNACTSKSMN1; SMN2
SCHEMBL12360942 0.78 NPSR1 (0.45) ALDH1A1LMNACTSKSMN1; SMN2
SCHEMBL5638554 0.77 SMN1; SMN2 (0.44) ALDH1A1TSHRCTSKMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11833213-B2 Compositions and methods for the treatment of viral infections CIDARA THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
WO-2023114428-A1 HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF DISEASE Vir Biotechnology, Inc. (US) 2023-06-22 WO disclosed
WO-2023274397-A1 CDK2 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海拓界生物医药科技有限公司 2023-01-05 WO disclosed
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 (3 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 ALDH1A1 4699/4885TSHR 4063/4885LMNA 1696/4885
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 ALDH1A1 4714/4885TSHR 4021/4885LMNA 2098/4885
US-11833213-B2 Compositions and methods for the treatment of viral infections FCGR3B, ALB, FCGR1A ALDH1A1 3164/4885TSHR 2184/4885LMNA 3451/4885

“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.