SCHEMBL698228

SCHEMBL698228

O=C(O)Cn1cc(CCCNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.64
KCNH2 Q12809 2/20 0.61
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
MCL1 Q07820 3/20 0.51
TBXAS1 P24557 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
KMT2A Q03164 1/20 0.47
HTR6 P50406 1/20 0.46
TBXA2R P21731 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL698959 0.94 KCNA5 (0.71) KCNA5KCNH2ALDH1A1TP53GAA
SCHEMBL10494268 0.84 KCNA5 (0.65) KCNA5KCNH2ALDH1A1TP53GAA
SCHEMBL10375360 0.83 KCNA5 (0.58) KCNA5KCNH2ALDH1A1TP53GAA
SCHEMBL13021000 0.83 KCNA5 (0.71) KCNA5KCNH2ALDH1A1MCL1PTGDR2
SCHEMBL9814888 0.76 KCNA5 (0.56) KCNA5KCNH2ALDH1A1MCL1TBXAS1
SCHEMBL9363306 0.74 KCNA5 (0.65) KCNA5KCNH2ALDH1A1TP53MCL1
SCHEMBL9362957 0.74 KCNA5 (0.54) KCNA5KCNH2ALDH1A1MCL1TBXAS1
SCHEMBL4527403 0.74 KMT2A (0.48) KCNA5KCNH2ALDH1A1MCL1KMT2A
SCHEMBL10374845 0.73 LMNA (0.52) KCNA5KCNH2ALDH1A1MCL1TBXAS1
SCHEMBL10374719 0.73 KCNA5 (0.58) KCNA5KCNH2ALDH1A1TP53MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423190-A1 Compounds Exhibiting PGD 2 Receptor Antagonism Shionogi&Co., Ltd. (JP) 2012-02-29 EP disclosed
US-20090258922-A1 COMPOUND EXHIBITING PGD2 RECEPTOR ANTAGONIST SHIONOGI & CO., LTD. 2009-10-15 US disclosed
US-7534897-B2 Indole arylsulfonaimide compounds exhibiting PGD 2 receptor antagonism SHIONOGI & CO., LTD. (JP) 2009-05-19 US disclosed
US-20050171143-A1 Compound exhibiting pgd 2 receptor antagonism SHIONOGI & CO., LTD. (JP) 2005-08-04 US disclosed
EP-1505061-A1 COMPOUND EXHIBITING PGD 2 RECEPTOR ANTAGONISM SHIONOGI & CO., LTD. (JP) 2005-02-09 EP 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-20090258922-A1 COMPOUND EXHIBITING PGD2 RECEPTOR ANTAGONIST CYSLTR2, CYSLTR1, HRH2 KCNA5 2720/4885KCNH2 2050/4885ALDH1A1 1713/4885
US-20050171143-A1 Compound exhibiting pgd 2 receptor antagonism CYSLTR2, CYSLTR1, HRH2 KCNA5 2974/4885KCNH2 2475/4885ALDH1A1 1732/4885

“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.