SCHEMBL3488086

SCHEMBL3488086

COc1ccc(CN2CC(NC(=O)O)CCC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.49
MMP13 P45452 1/20 0.49
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL3488041 0.87 SIGMAR1 (0.47) MMP1MMP13ALDH1A1LMNAL3MBTL1
SCHEMBL13434254 0.85 CYP3A4 (0.47) MMP1MMP13CYP3A4CYP2C19ALDH1A1
SCHEMBL3488893 0.83 KMT2A (0.56) CYP3A4CYP2C19ALDH1A1L3MBTL1KMT2A
SCHEMBL3488361 0.81 SMN1; SMN2 (0.55) CYP3A4CYP2C19ALDH1A1L3MBTL1KMT2A
SCHEMBL17062184 0.80 GAA (0.50) MMP1MMP13CYP3A4CYP2C19ALDH1A1
SCHEMBL16759341 0.80 GAA (0.50) MMP1MMP13CYP3A4CYP2C19ALDH1A1
SCHEMBL2242813 0.80 SIGMAR1 (0.48) ALDH1A1LMNASIGMAR1
SCHEMBL16485924 0.78 KMT2A (0.53) CYP3A4CYP2C19ALDH1A1L3MBTL1KMT2A
SCHEMBL16485861 0.77 GAA (0.50) MMP1MMP13CYP3A4CYP2C19ALDH1A1
SCHEMBL28050302 0.77 ALDH1A1 (0.49) MMP1MMP13CYP3A4CYP2C19ALDH1A1

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-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 MMP1 610/4885MMP13 1349/4885CYP3A4 537/4885

“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.