SCHEMBL4881599

SCHEMBL4881599

COC(=O)C1(c2cccc(OC)c2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
SIGMAR1 Q99720 4/20 0.57
ALDH1A1 P00352 1/20 0.56
KDM4E B2RXH2 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KCNH2 Q12809 2/20 0.54
FAAH O00519 1/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 2/20 0.51
CYP2D6 P10635 1/20 0.51
CCR8 P51685 3/20 0.50
TP53 P04637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPFFR1 Q9GZQ6 1/20 0.50
NPFFR2 Q9Y5X5 1/20 0.50

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
SCHEMBL4878355 0.91 SIGMAR1 (0.60) L3MBTL1SIGMAR1ALDH1A1KDM4ENPSR1
SCHEMBL2701083 0.89 SIGMAR1 (0.57) L3MBTL1SIGMAR1ALDH1A1KDM4ENPSR1
SCHEMBL6746046 0.88 KDM4E (0.60) ALDH1A1KDM4ENPSR1KCNH2CYP2D6
SCHEMBL4883886 0.87 L3MBTL1 (0.54) L3MBTL1SIGMAR1ALDH1A1KDM4ENPSR1
SCHEMBL8349894 0.87 SIGMAR1 (0.55) L3MBTL1SIGMAR1ALDH1A1KDM4ENPSR1
SCHEMBL8349895 0.86 L3MBTL1 (0.54) L3MBTL1SIGMAR1ALDH1A1KDM4ENPSR1
SCHEMBL4883883 0.85 MMP1 (0.52) L3MBTL1SIGMAR1ALDH1A1FAAHLMNA
SCHEMBL4876722 0.83 SOAT1 (0.56) ALDH1A1MAPTSMN1; SMN2TP53
Hydrochloric Acid SCHEMBL4814838 0.83 OPRL1 (0.55) SIGMAR1ALDH1A1KDM4ENPSR1KCNH2
SCHEMBL11562813 0.82 NPFFR1 (0.60) L3MBTL1SIGMAR1ALDH1A1KDM4EKCNH2

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-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 L3MBTL1 3484/4885SIGMAR1 298/4885ALDH1A1 2899/4885

“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.