SCHEMBL4906417

SCHEMBL4906417

CCN(c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)S(=O)(=O)c1cc(C)c(C)c(C(=O)OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.52
NPSR1 Q6W5P4 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 1/20 0.46
MMP2 P08253 6/20 0.45
MMP9 P14780 6/20 0.45
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
RORC P51449 2/20 0.41
NR1I2 O75469 1/20 0.41
RORA P35398 1/20 0.41
NR1H2 P55055 1/20 0.41

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
SCHEMBL4895643 0.92 HDAC8 (0.53) HDAC8NPSR1HDAC3HDAC11HDAC6
SCHEMBL4904184 0.91 HCRTR2 (0.50) HDAC8NPSR1HDAC3HDAC11HDAC6
SCHEMBL4906301 0.90 HDAC8 (0.51) HDAC8NPSR1HDAC3HDAC11HDAC6
SCHEMBL4894413 0.90 MMP2 (0.49) HDAC8NPSR1HDAC3HDAC11HDAC6
SCHEMBL4906502 0.89 HDAC8 (0.50) HDAC8NPSR1HDAC3HDAC11HDAC6
SCHEMBL4898047 0.89 MAPT (0.47) HDAC8NPSR1POLBMMP2MMP9
SCHEMBL4906191 0.88 MMP9 (0.41) HDAC8NPSR1MMP2MMP9MAPT
SCHEMBL4903956 0.88 ESR1 (0.48) MMP2MMP9MAPT
SCHEMBL4904286 0.87 MAPT (0.45) MMP2MMP9MAPT
SCHEMBL4906457 0.87 MCL1 (0.41) HDAC8NPSR1MMP2MMP9MAPT

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 HDAC8 882/4885NPSR1 735/4885HDAC3 157/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD HDAC8 882/4885NPSR1 735/4885HDAC3 157/4885

“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.