SCHEMBL4877583

SCHEMBL4877583

COc1cccc([C@]2(CNS(C)(=O)=O)CC[C@H](NC3CCN(Cc4ccccc4)CC3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.52
KMT2A Q03164 2/20 0.49
CXCR3 P49682 2/20 0.47
MCHR1 Q99705 1/20 0.46
CHRM2 P08172 3/20 0.45
CHRM3 P20309 3/20 0.45
MEN1 O00255 1/20 0.45
DRD4 P21917 2/20 0.44
CHRM1 P11229 2/20 0.43
CCR8 P51685 2/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL4877592 1.00 SIGMAR1 (0.52) SIGMAR1KMT2ACXCR3MCHR1CHRM2
SCHEMBL4881261 0.93 MCHR1 (0.44) SIGMAR1KMT2ACXCR3MCHR1MEN1
SCHEMBL4881269 0.93 MCHR1 (0.44) SIGMAR1KMT2ACXCR3MCHR1MEN1
SCHEMBL4880806 0.92 SIGMAR1 (0.51) SIGMAR1KMT2ACXCR3MCHR1CHRM2
SCHEMBL4880794 0.92 SIGMAR1 (0.51) SIGMAR1KMT2ACXCR3MCHR1CHRM2
SCHEMBL5771453 0.92 SIGMAR1 (0.51) SIGMAR1KMT2ACXCR3MCHR1CHRM2
Hydrochloric Acid SCHEMBL4887063 0.91 SIGMAR1 (0.50) SIGMAR1KMT2ACXCR3MCHR1CHRM2
Hydrochloric Acid SCHEMBL4887072 0.91 SIGMAR1 (0.50) SIGMAR1KMT2ACXCR3MCHR1CHRM2
SCHEMBL4879194 0.91 MCHR1 (0.42) SIGMAR1KMT2ACXCR3MCHR1MEN1
SCHEMBL4879190 0.91 MCHR1 (0.42) SIGMAR1KMT2ACXCR3MCHR1MEN1

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 SIGMAR1 298/4885KMT2A 1132/4885CXCR3 562/4885

“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.