SCHEMBL4874912

SCHEMBL4874912

COc1cccc(C2(C(=O)NS(=O)(=O)O)CCC(Nc3ccccc3OC)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
CCR8 P51685 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
KCNH2 Q12809 1/20 0.38
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL4877673 0.87 KMT2A (0.42) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL14194842 0.84 SOAT1 (0.40) L3MBTL1
SCHEMBL4874919 0.84 L3MBTL1 (0.39) L3MBTL1MAPK1ALDH1A1CRHBPCRHR2
SCHEMBL4880349 0.83 HDAC4 (0.46) ALDH1A1CRHBPCRHR2KMT2AMEN1
SCHEMBL4878256 0.82 ALDH1A1 (0.43) MAPK1ALDH1A1CRHBPCRHR2KMT2A
SCHEMBL4877598 0.81 OPRD1 (0.41) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL4876634 0.78 SOAT1 (0.52) DRD2KMT2A
Hydrochloric Acid SCHEMBL4880947 0.78 SOAT1 (0.51) DRD2KMT2AMEN1MAPT
SCHEMBL4876705 0.77 OPRD1 (0.46) ALDH1A1DRD2DRD3KMT2AMEN1
SCHEMBL4880460 0.77 ELOVL1 (0.43) MAPK1ALDH1A1KMT2AMEN1NPC1

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 3484/4885MAPK1 1878/4885ALDH1A1 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.