SCHEMBL4906982

SCHEMBL4906982

CCN(Sc1ccc(OCc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(C)c(C(=O)OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADAM17 P78536 2/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
AR P10275 1/20 0.39
PARP10 Q53GL7 1/20 0.38
MMP1 P03956 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL4898081 0.91 KEAP1 (0.42) ALDH1A1ADAM17MMP9MMP13MAPT
SCHEMBL4902853 0.89 ALDH1A1 (0.45) ALDH1A1TSHRMMP9MMP13MAPT
SCHEMBL4894507 0.87 ALDH1A1 (0.48) ALDH1A1TSHRL3MBTL1MAPTSMN1; SMN2
SCHEMBL4906314 0.86 ALDH1A1 (0.44) ALDH1A1TSHRMMP9MMP13MAPT
SCHEMBL4905613 0.85 ALDH1A1 (0.48) ALDH1A1TSHRMAPTMAPK1SMN1; SMN2
SCHEMBL4902970 0.85 KEAP1 (0.48) ALDH1A1TSHRADAM17MMP9MMP13
SCHEMBL4904025 0.83 ALDH1A1 (0.45) ALDH1A1TSHRL3MBTL1ADAM17MMP9
SCHEMBL4902656 0.82 LMNA (0.44) ALDH1A1TSHRMMP9MMP13MAPT
SCHEMBL4905798 0.82 ALDH1A1 (0.44) ALDH1A1TSHRMMP9MMP13MAPT
SCHEMBL4904399 0.82 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1MAPK1KEAP1

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 3 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
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 US 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 ALDH1A1 2664/4885TSHR 412/4885L3MBTL1 1234/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD ALDH1A1 2956/4885TSHR 400/4885L3MBTL1 1246/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD ALDH1A1 2956/4885TSHR 400/4885L3MBTL1 1246/4885

“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.