SCHEMBL15079996

SCHEMBL15079996

CN(C)CCCOC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)s2)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 5/20 0.46
PFKFB4 Q16877 1/20 0.46
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
PKM P14618 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACLY P53396 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KIT P10721 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL15055663 0.94 PFKFB3 (0.42) PFKFB3PFKFB4ALDH1A1MAPTKMT2A
SCHEMBL15055564 0.89 PFKFB3 (0.46) PFKFB3ALDH1A1MAPTKMT2AMEN1
SCHEMBL15056021 0.89 PFKFB3 (0.45) PFKFB3PFKFB4ALDH1A1MAPTKMT2A
SCHEMBL15055134 0.89 PFKFB3 (0.45) PFKFB3ALDH1A1MAPTKMT2AMEN1
SCHEMBL15056071 0.89 PFKFB3 (0.45) PFKFB3PFKFB4ALDH1A1MAPTKMT2A
SCHEMBL15055054 0.88 ALDH1A1 (0.46) PFKFB3ALDH1A1MAPTKMT2AMEN1
SCHEMBL15055346 0.88 PFKFB3 (0.45) PFKFB3ALDH1A1MAPTKMT2AMEN1
SCHEMBL15055399 0.87 PFKFB3 (0.47) PFKFB3PFKFB4ALDH1A1MAPTKMT2A
SCHEMBL15055024 0.86 PFKFB3 (0.47) PFKFB3ALDH1A1MAPTKMT2AMEN1
SCHEMBL15056123 0.85 PFKFB3 (0.49) PFKFB3ALDH1A1MAPTKMT2AMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794009-B1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2017-08-30 EP claimed
US-10000449-B2 Bisarylsulfonamides useful in the treatment of inflammation and cancer KANCERA AB (SE) 2018-06-19 US disclosed
EP-2794009-B1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2017-08-30 EP disclosed
US-9718809-B2 Bisarylsulfonamides useful in the treatment of inflammation and cancer KANCERA AB (SE) 2017-08-01 US disclosed
US-20160221938-A1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2016-08-04 US disclosed
US-20150025068-A1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2015-01-22 US disclosed
WO-2013093095-A1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2013-06-27 WO 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-20150025068-A1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER NFKBIA, IL6, LITAF PFKFB3 909/4885PFKFB4 888/4885ALDH1A1 1259/4885
US-20160221938-A1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER NFKBIA, IL6, LITAF PFKFB3 988/4885PFKFB4 967/4885ALDH1A1 1305/4885
US-10000449-B2 Bisarylsulfonamides useful in the treatment of inflammation and cancer NFKBIA, IL6, LITAF PFKFB3 988/4885PFKFB4 967/4885ALDH1A1 1305/4885

“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.