SCHEMBL4881690

SCHEMBL4881690

COc1cccc(C2(C(=O)OS(N)(=O)=O)CC3CCC(C2)N3c2ccccc2OC)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
SOAT1 P35610 5/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADAM17 P78536 1/20 0.38
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.38
OPRM1 P35372 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM1A O60341 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRM5 P41594 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
Hydrochloric Acid SCHEMBL4881188 0.95 CTSD (0.38) HTR1AADRA1DADRA1AADRA1BSOAT1
SCHEMBL4879322 0.89 ADAM17 (0.46) HTR1AADRA1DADRA1AADRA1BSOAT1
SCHEMBL4872265 0.87 OPRM1 (0.46) HTR1AADRA1DADRA1AADRA1BSOAT1
SCHEMBL4872181 0.86 MEN1 (0.44) HTR1AADRA1DADRA1AADRA1BSOAT1
SCHEMBL4876644 0.85 SOAT1 (0.51) HTR1AADRA1DADRA1AADRA1BSOAT1
SCHEMBL4887108 0.85 ADAM17 (0.44) HTR1AADRA1DADRA1AADRA1BSOAT1
SCHEMBL4887105 0.85 ADAM17 (0.44) HTR1AADRA1DADRA1AADRA1BSOAT1
Hydrochloric Acid SCHEMBL4880951 0.84 SOAT1 (0.51) HTR1AADRA1DADRA1AADRA1BSOAT1
SCHEMBL4881113 0.84 SOAT1 (0.50) HTR1AADRA1DADRA1AADRA1BSOAT1
SCHEMBL4881682 0.84 SOAT1 (0.41) HTR1AADRA1DADRA1AADRA1BSOAT1

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 HTR1A 2072/4885ADRA1D 310/4885ADRA1A 691/4885

“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.