SCHEMBL4904572

SCHEMBL4904572

CCN(c1nc(-c2ccc(C(C)(C)C)cc2)oc1C)S(=O)(=O)c1ccc(C)c(C(=O)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.44
PPARA Q07869 5/20 0.44
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
NR1I2 O75469 1/20 0.38
PPARD Q03181 1/20 0.37
LMNA P02545 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HCRTR2 O43614 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL4904506 0.91 LMNA (0.40) PPARGPPARAALDH1A1PPARDLMNA
SCHEMBL4894415 0.90 PPARG (0.43) PPARGPPARAALDH1A1TSHRNR1I2
SCHEMBL4900979 0.89 SMN1; SMN2 (0.43) PPARGPPARAALDH1A1TSHRLMNA
SCHEMBL4900715 0.84 ALDH1A1 (0.39) PPARGPPARAALDH1A1TSHRNR1I2
SCHEMBL4897429 0.83 PPARG (0.39) PPARGPPARAALDH1A1PPARDLMNA
SCHEMBL4906254 0.82 NR1I2 (0.40) ALDH1A1TSHRNR1I2LMNAHDAC3
SCHEMBL4900672 0.82 HDAC8 (0.51) ALDH1A1TSHRNR1I2LMNAHDAC3
SCHEMBL4899907 0.81 LMNA (0.41) PPARGPPARAALDH1A1TSHRLMNA
SCHEMBL6507035 0.80 PPARA (0.42) PPARGPPARAALDH1A1PPARDLMNA
SCHEMBL4905062 0.80 ALDH1A1 (0.42) PPARGPPARAALDH1A1TSHRPPARD

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 PPARG 2/4885PPARA 1/4885ALDH1A1 2664/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD PPARG 2/4885PPARA 1/4885ALDH1A1 2956/4885

“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.