SCHEMBL4904544

SCHEMBL4904544

CCN(c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)S(=O)(=O)c1ccc(C)c(C(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.53
NR3C1 P04150 1/20 0.49
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.43
SERPINE1 P05121 3/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL4899803 0.94 HCRTR2 (0.53) HCRTR2NR3C1NPSR1ALDH1A1KDM4E
SCHEMBL4906502 0.91 HDAC8 (0.50) HCRTR2NPSR1ALDH1A1LMNATSHR
SCHEMBL4907142 0.91 HCRTR2 (0.54) HCRTR2NR3C1ALDH1A1KDM4EPKM
SCHEMBL4903860 0.90 HCRTR2 (0.51) HCRTR2NR3C1NPSR1ALDH1A1KDM4E
SCHEMBL4903997 0.90 MAPT (0.49) NR3C1NPSR1ALDH1A1LMNATSHR
SCHEMBL4904184 0.89 HCRTR2 (0.50) HCRTR2NR3C1NPSR1ALDH1A1KDM4E
SCHEMBL4903818 0.89 ESR1 (0.52) NR3C1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4902668 0.89 ALDH1A1 (0.46) NR3C1NPSR1ALDH1A1LMNATSHR
SCHEMBL4907631 0.88 LMNA (0.55) HCRTR2ALDH1A1KDM4EPKMLMNA
SCHEMBL4895843 0.88 ALDH1A1 (0.50) NR3C1ALDH1A1LMNATSHRMAPT

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-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 (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-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD HCRTR2 3933/4885NR3C1 169/4885NPSR1 735/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD HCRTR2 3933/4885NR3C1 169/4885NPSR1 735/4885

“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.