SCHEMBL4472824

SCHEMBL4472824

COc1cc(C)c(S(=O)(=O)C(C)NCCOCC(=O)O)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
BDKRB1 P46663 11/20 0.38
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
BMP1 P13497 1/20 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
SCHEMBL4780362 0.81 BDKRB1 (0.40) POLBBDKRB1GAATSHRBMP1
SCHEMBL10008677 0.80 FABP4 (0.48) ALDH1A1POLBTDP1BDKRB1GAA
SCHEMBL4472823 0.78 KDM4E (0.39) KDM4EPOLBTDP1BDKRB1GAA
SCHEMBL571406 0.78 BDKRB1 (0.37) KDM4EPOLBTDP1BDKRB1GAA
SCHEMBL15347788 0.77 BDKRB1 (0.37) KDM4EPOLBTDP1BDKRB1GAA
SCHEMBL4477913 0.75 BDKRB1 (0.49) BDKRB1
SCHEMBL700853 0.72 BDKRB1 (0.62) BDKRB1
SCHEMBL15347791 0.71 BDKRB1 (0.61) BDKRB1
SCHEMBL4472820 0.70 BDKRB1 (0.50) BDKRB1
SCHEMBL14048055 0.68 NR3C1 (0.41) KDM4EPOLBGAATSHRBMP1

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-7538111-B2 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2009-05-26 US disclosed
US-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2006-08-10 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 (1 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-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LTB4R2, BDKRB2, TBXA2R KDM4E 2998/4885ALDH1A1 283/4885POLB 1378/4885

“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.