SCHEMBL8427922

SCHEMBL8427922

CNC(=O)CCCOCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
MMP3 P08254 5/20 0.53
MMP8 P22894 4/20 0.53
MMP9 P14780 3/20 0.53
MMP1 P03956 4/20 0.48
LTA4H P09960 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
NAAA Q02083 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL20231678 0.95 EPHX2 (0.59) EPHX2MMP3MMP8MMP9MMP1
SCHEMBL18381491 0.94 EPHX2 (0.61) EPHX2MMP3MMP8MMP9MMP1
SCHEMBL24207892 0.87 MMP3 (0.47) EPHX2MMP3MMP8MMP9MMP1
SCHEMBL22297314 0.86 MMP3 (0.52) EPHX2MMP3MMP8MMP9MMP1
SCHEMBL20322529 0.86 TAAR1 (0.51) SMN1; SMN2TAAR1LMNA
SCHEMBL20818936 0.84 EPHX2 (0.51) EPHX2SMN1; SMN2HTTTAAR1NAAA
SCHEMBL13902888 0.84 EPHX2 (0.53) EPHX2LTA4HSMN1; SMN2HTTTAAR1
SCHEMBL8247495 0.83 SMN1; SMN2 (0.52) EPHX2MMP3MMP8MMP9MMP1
SCHEMBL17117263 0.83 GAA (0.70) EPHX2HTTGAALMNAMEN1
SCHEMBL22297177 0.82 MMP3 (0.48) MMP3MMP8MMP9MMP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970334-B1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN MA INC (US) 2018-05-23 EP disclosed
US-9617282-B2 Macrocyclic compounds as IRAK4 inhibitors for the treatment of inflammatory diseases BIOGEN MA INC. (US) 2017-04-11 US disclosed
US-20160002265-A1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN MA INC. (US) 2016-01-07 US disclosed
EP-1513814-B1 NOVEL PIPERIDINE COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2010-03-17 EP disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-7504431-B2 Sulfonyl amide inhibitors of calcium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-17 US disclosed
US-20050245535-A1 Sulfonyl amide inhibitors of calcium channel function BRISTOL- MYERS SQUIBB COMPANY 2005-11-03 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-20050245535-A1 Sulfonyl amide inhibitors of calcium channel function CACNA1F, CACNA1A, CACNA1D EPHX2 3700/4885MMP3 3879/4885MMP8 4286/4885
US-20160002265-A1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES IRAK4, IRAK1, IRAK2 EPHX2 4076/4885MMP3 4711/4885MMP8 3840/4885

“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.