SCHEMBL4868281

SCHEMBL4868281

COc1cccc(C2(CNS(=O)(=O)NC(=O)O)CCC(NC3CCN(C(c4ccccc4)(c4ccccc4)c4ccccc4)CC3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 10/20 0.40
ALDH1A1 P00352 2/20 0.39
OPRD1 P41143 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
NPY1R P25929 1/20 0.37
NPY5R Q15761 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNA3 P22001 1/20 0.35

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
SCHEMBL4868269 1.00 SOAT1 (0.40) SOAT1ALDH1A1OPRD1CHRM2CHRM1
SCHEMBL4877162 0.87 SIGMAR1 (0.52) CHRM2CHRM1CHRM3SIGMAR1KMT2A
SCHEMBL4877150 0.87 SIGMAR1 (0.52) CHRM2CHRM1CHRM3SIGMAR1KMT2A
SCHEMBL4880411 0.81 ALDH1A1 (0.44) SOAT1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4880406 0.81 ALDH1A1 (0.44) SOAT1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4876769 0.80 ALDH1A1 (0.42) SOAT1ALDH1A1OPRD1MEN1KMT2A
SCHEMBL4876775 0.80 ALDH1A1 (0.42) SOAT1ALDH1A1OPRD1MEN1KMT2A
SCHEMBL4872809 0.79 SOAT1 (0.47) SOAT1ALDH1A1CHRM1CHRM3MEN1
SCHEMBL4872820 0.79 SOAT1 (0.47) SOAT1ALDH1A1CHRM1CHRM3MEN1
SCHEMBL4878196 0.78 MMP1 (0.42) SOAT1ALDH1A1NPY1RMEN1KMT2A

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 SOAT1 502/4885ALDH1A1 2899/4885OPRD1 628/4885

“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.