SCHEMBL698227

SCHEMBL698227

CCC(NS(=O)(=O)c1ccc(Cl)cc1)c1cn(CC(=O)O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
KCNA5 P22460 3/20 0.44
ALDH1A1 P00352 3/20 0.43
ADAM17 P78536 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
BCL2 P10415 2/20 0.42
BCL2L1 Q07817 2/20 0.42
MCL1 Q07820 2/20 0.42
EDNRA P25101 1/20 0.42
S1PR1 P21453 3/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL4527403 0.88 KMT2A (0.48) KMT2AKCNA5ALDH1A1ADAM17KCNH2
SCHEMBL698959 0.74 KCNA5 (0.71) KMT2AKCNA5ALDH1A1KCNH2MCL1
Acetic Acid SCHEMBL697091 0.73 NR3C1 (0.56) KMT2AKCNA5POLBL3MBTL1MEN1
SCHEMBL698228 0.72 KCNA5 (0.64) KMT2AKCNA5ALDH1A1KCNH2MCL1
SCHEMBL1287300 0.72 MAPT (0.57) KMT2AKCNA5ALDH1A1LMNAS1PR1
SCHEMBL1287270 0.72 MAPT (0.57) KMT2AKCNA5ALDH1A1LMNAS1PR1
SCHEMBL10711865 0.67 S1PR1 (0.47) ALDH1A1S1PR1ATML3MBTL1CYP1A2
SCHEMBL3449927 0.66 S1PR1 (0.78) KMT2AS1PR1CYP2D6CYP2C19MEN1
SCHEMBL4413684 0.66 ALDH1A1 (0.44) KMT2AALDH1A1KDM4EPOLBMCL1
SCHEMBL8839630 0.66 MMP2 (0.63) MMP2MMP9

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 KMT2A 2023/4885KCNA5 2720/4885ALDH1A1 1713/4885
US-20050171143-A1 Compound exhibiting pgd 2 receptor antagonism CYSLTR2, CYSLTR1, HRH2 KMT2A 2134/4885KCNA5 2974/4885ALDH1A1 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.