SCHEMBL3488041

SCHEMBL3488041

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
MMP1 P03956 1/20 0.46
MMP13 P45452 1/20 0.46
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
MCHR1 Q99705 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL3488086 0.87 MMP1 (0.49) SIGMAR1MMP1MMP13KDM4EALDH1A1
SCHEMBL13434255 0.86 L3MBTL1 (0.45) SIGMAR1MMP1MMP13EPHX2ALDH1A1
SCHEMBL2242813 0.79 SIGMAR1 (0.48) SIGMAR1EPHX2ALDH1A1LMNAHRH3
SCHEMBL13434254 0.73 CYP3A4 (0.47) MMP1MMP13ALDH1A1LMNAL3MBTL1
SCHEMBL3488949 0.72 KMT2A (0.45) SIGMAR1MMP1MMP13EPHX2ALDH1A1
SCHEMBL3488955 0.72 KMT2A (0.45) SIGMAR1MMP1MMP13EPHX2ALDH1A1
SCHEMBL22946306 0.71 GAA (0.59) SIGMAR1KDM4EALDH1A1LMNAL3MBTL1
SCHEMBL19876042 0.71 SIGMAR1 (0.50) SIGMAR1KDM4EMCHR1HRH3MEN1
SCHEMBL19875945 0.71 SIGMAR1 (0.50) SIGMAR1KDM4EMCHR1HRH3MEN1
SCHEMBL19875824 0.71 SIGMAR1 (0.52) SIGMAR1MMP1MMP13EPHX2ALDH1A1

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 1 patent. 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

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 SIGMAR1 570/4885MMP1 610/4885MMP13 1349/4885

“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.