SCHEMBL4881139

SCHEMBL4881139

COc1cccc(C2(C(=O)NS(=O)(=O)O)CCN(CC(F)(F)F)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGDS O60760 1/20 0.41
ADAM17 P78536 3/20 0.41
MMP1 P03956 2/20 0.41
MMP9 P14780 2/20 0.41
MMP13 P45452 2/20 0.41
ELOVL1 Q9BW60 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
SOAT1 P35610 1/20 0.38
TACR3 P29371 1/20 0.38
LMNA P02545 1/20 0.38
CCR8 P51685 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
SCHEMBL4878341 0.85 OPRM1 (0.57) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL4872645 0.84 OPRD1 (0.56) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL4883883 0.84 MMP1 (0.52) ADAM17MMP1MMP9MMP13ALDH1A1
SCHEMBL4881144 0.82 OPRM1 (0.52) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL4880538 0.81 SOAT1 (0.50) KMT2AMEN1SMN1; SMN2MMP9MMP13
SCHEMBL4876692 0.79 ALDH1A1 (0.49) OPRD1KMT2AMEN1ELOVL1ALDH1A1
SCHEMBL4880460 0.79 ELOVL1 (0.43) KMT2AMEN1ADAM17ELOVL1ALDH1A1
SCHEMBL4876634 0.78 SOAT1 (0.52) KMT2ASOAT1
SCHEMBL4878256 0.78 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2ADAM17ELOVL1
Hydrochloric Acid SCHEMBL4880947 0.77 SOAT1 (0.51) KMT2AMEN1SOAT1

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 OPRD1 628/4885OPRM1 1290/4885OPRK1 2515/4885

“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.