SCHEMBL4900707

SCHEMBL4900707

CCN(c1ccc(Oc2cccnc2)cc1)S(=O)(=O)c1cc(C)c(C)c(C(=O)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
GRM2 Q14416 1/20 0.43
MMP9 P14780 6/20 0.41
MMP1 P03956 5/20 0.41
MMP13 P45452 5/20 0.41
ADAM17 P78536 5/20 0.41
MMP2 P08253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4906379 0.91 GRM2 (0.47) TP53ALDH1A1MAPTTSHRRXFP1
SCHEMBL4903613 0.90 TP53 (0.48) TP53ALDH1A1MAPTTSHRRXFP1
SCHEMBL4906191 0.90 MMP9 (0.41) TP53ALDH1A1MAPTTSHRMMP9
SCHEMBL4903956 0.90 ESR1 (0.48) ALDH1A1MAPTMMP9MMP1MMP13
SCHEMBL4908278 0.86 ALDH1A1 (0.48) TP53ALDH1A1MAPTTSHRRXFP1
SCHEMBL4904286 0.85 MAPT (0.45) TP53ALDH1A1MAPTTSHRMMP9
SCHEMBL4898047 0.85 MAPT (0.47) ALDH1A1MAPTTSHRMMP9MMP2
SCHEMBL4906457 0.85 MCL1 (0.41) ALDH1A1MAPTTSHRMMP9MMP2
SCHEMBL4904184 0.83 HCRTR2 (0.50) ALDH1A1MAPTMMP9MMP2
SCHEMBL4906417 0.82 HDAC8 (0.52) MAPTMMP9MMP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
EP-1765796-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS Pfizer Products Inc. (US) 2007-03-28 EP disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 US disclosed
WO-2006003495-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-01-12 WO disclosed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 US 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 (3 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-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARA, PPARG, PPARD TP53 3260/4885ALDH1A1 2664/4885MAPT 1858/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD TP53 3421/4885ALDH1A1 2956/4885MAPT 1786/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD TP53 3421/4885ALDH1A1 2956/4885MAPT 1786/4885

“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.