SCHEMBL806216

SCHEMBL806216

COc1cccc2c(C)c(S(=O)(=O)O)sc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB4 Q16877 4/20 0.58
PFKFB3 Q16875 2/20 0.58
CA2 P00918 4/20 0.42
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL788735 0.98 PFKFB4 (0.57) PFKFB4PFKFB3CA2KDM4ECYP1A2
SCHEMBL787667 0.85 PFKFB4 (0.55) PFKFB4PFKFB3CA2KDM4ECYP1A2
Potassium Ion SCHEMBL788380 0.84 PFKFB4 (0.57) PFKFB4PFKFB3CA2KDM4ECYP1A2
SCHEMBL806073 0.78 PFKFB4 (0.56) PFKFB4PFKFB3CYP1A2MCL1SLC9A1
SCHEMBL788454 0.77 PFKFB4 (0.55) PFKFB4PFKFB3CYP1A2MCL1SLC9A1
SCHEMBL788343 0.74 PFKFB4 (1.00) PFKFB4PFKFB3POLB
SCHEMBL788176 0.74 PFKFB4 (1.00) PFKFB4PFKFB3ALDH1A1POLB
SCHEMBL2897567 0.74 PFKFB4 (0.53) PFKFB4PFKFB3CA2KDM4ECYP1A2
SCHEMBL25871284 0.72 CA2 (0.48) CA2KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL788508 0.70 HSD11B1 (0.47) PFKFB3ALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616450-B1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2018-05-02 EP disclosed
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US disclosed
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US disclosed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 US disclosed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 US disclosed
WO-2012035171-A2 NEW COMPOUNDS KANCERA AB (SE) 2012-03-22 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 (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-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA PFKFB4 889/4885PFKFB3 952/4885CA2 2365/4885

“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.