SCHEMBL4903874

SCHEMBL4903874

CCN(Oc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cc(C)c(C)c(C(=O)OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
CFTR P13569 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
BMP1 P13497 2/20 0.38
RORC P51449 1/20 0.36
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HIF1A Q16665 1/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ3 P48549 1/20 0.35
NOTUM Q6P988 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PKM P14618 1/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL4901791 0.91 ALDH1A1 (0.42) ALDH1A1TSHRGAAL3MBTL1KDM4E
SCHEMBL4904415 0.91 ALDH1A1 (0.40) ALDH1A1TSHRHDAC8HIF1AKDM4E
SCHEMBL4901009 0.90 HDAC8 (0.37) ALDH1A1HDAC8BMP1KDM4ELMNA
SCHEMBL4906417 0.83 HDAC8 (0.52) HDAC8RORCNPSR1HDAC3HDAC11
SCHEMBL4899562 0.82 ALDH1A1 (0.36) ALDH1A1TSHRCFTRHDAC8BMP1
SCHEMBL4908910 0.82 ALDH1A1 (0.39) ALDH1A1TSHRCFTRHDAC8BMP1
SCHEMBL4904268 0.81 HCRTR2 (0.41) ALDH1A1KDM4EPKMLMNASMN1; SMN2
SCHEMBL4895643 0.81 HDAC8 (0.53) ALDH1A1TSHRHDAC8RORCGAA
SCHEMBL4908598 0.80 MMP9 (0.38) ALDH1A1KDM4EMMP9MMP13LMNA
SCHEMBL4894413 0.80 MMP2 (0.49) HDAC8RORCNPSR1HDAC3HDAC11

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 412/4885CFTR 2805/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD ALDH1A1 2956/4885TSHR 400/4885CFTR 3077/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD ALDH1A1 2956/4885TSHR 400/4885CFTR 3077/4885

“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.