SCHEMBL23914718

SCHEMBL23914718

CCOC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.48
F2 P00734 1/20 0.46
PLAU P00749 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 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
SCHEMBL23908904 0.86 ELANE (0.55) ELANEF2PLAUKDM4ERXFP1
SCHEMBL23909057 0.81 KDM4E (0.48) L3MBTL1KDM4EALDH1A1GAAKMT2A
SCHEMBL7745499 0.80 KDM4E (0.52) ELANEF2PLAUKDM4EALDH1A1
SCHEMBL12480155 0.80 KDM4E (0.48) ELANEKDM4EALDH1A1KMT2ALMNA
SCHEMBL13329858 0.80 KDM4E (0.50) ELANEL3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL10164962 0.79 F2RL3 (0.64) ELANEF2PLAUALDH1A1SMN1; SMN2
SCHEMBL12479194 0.79 CFD (0.47) ELANEKDM4EALDH1A1KMT2ALMNA
SCHEMBL28260027 0.78 KDM4E (0.53) L3MBTL1KDM4EALDH1A1GAAKMT2A
SCHEMBL23909132 0.77 KDM4E (0.45) L3MBTL1KDM4EALDH1A1KMT2ALMNA
SCHEMBL23908941 0.77 KDM4E (0.46) L3MBTL1KDM4EALDH1A1KMT2ALMNA

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 ELANE 1350/4885F2 282/4885PLAU 2456/4885

“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.