SCHEMBL4881269

SCHEMBL4881269

COc1cccc(C2(CNS(C)(=O)=O)CCC(NC3CCN(Cc4ccc(S(C)(=O)=O)cc4)CC3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.44
CXCR3 P49682 3/20 0.44
SIGMAR1 Q99720 1/20 0.44
CCR2 P41597 1/20 0.43
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ADAM17 P78536 1/20 0.42
KMT2A Q03164 2/20 0.42
PRKAA2 P54646 3/20 0.42
ALDH1A1 P00352 1/20 0.41
KDM1A O60341 2/20 0.40
MAOB P27338 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
CCR3 P51677 1/20 0.39

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
SCHEMBL4881261 1.00 MCHR1 (0.44) MCHR1CXCR3SIGMAR1CCR2MMP1
SCHEMBL4879194 0.94 MCHR1 (0.42) MCHR1CXCR3SIGMAR1CCR2MMP1
SCHEMBL4879190 0.94 MCHR1 (0.42) MCHR1CXCR3SIGMAR1CCR2MMP1
SCHEMBL4877592 0.93 SIGMAR1 (0.52) MCHR1CXCR3SIGMAR1KMT2AMEN1
SCHEMBL4877583 0.93 SIGMAR1 (0.52) MCHR1CXCR3SIGMAR1KMT2AMEN1
SCHEMBL4878970 0.89 SIGMAR1 (0.44) MCHR1CXCR3SIGMAR1KMT2APRKAA2
SCHEMBL4878973 0.89 SIGMAR1 (0.44) MCHR1CXCR3SIGMAR1KMT2APRKAA2
SCHEMBL4880910 0.85 SOAT1 (0.46) CXCR3SIGMAR1KMT2AALDH1A1KDM1A
SCHEMBL4880915 0.85 SOAT1 (0.46) CXCR3SIGMAR1KMT2AALDH1A1KDM1A
SCHEMBL4880806 0.85 SIGMAR1 (0.51) MCHR1CXCR3SIGMAR1KMT2AMEN1

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 MCHR1 1709/4885CXCR3 562/4885SIGMAR1 298/4885

“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.