SCHEMBL68830

SCHEMBL68830

O=C(O)c1ccc2c(c1)S(=O)(=O)c1ccc(C(=O)O)cc1S2(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.56
TSHR P16473 3/20 0.48
TP53 P04637 1/20 0.48
CA12 O43570 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
CA4 P22748 4/20 0.47
CA7 P43166 4/20 0.47
CA1 P00915 4/20 0.46
CA6 P23280 4/20 0.46
CA14 Q9ULX7 3/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
PTGS2 P35354 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SRD5A2 P31213 1/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL29789038 0.84 CHEK1 (0.69) CHEK1TSHRTP53CA12CA2
SCHEMBL2706112 0.84 CHEK1 (0.69) CHEK1TSHRTP53CA12CA2
SCHEMBL68584 0.84 CHEK1 (0.59) CHEK1TSHRTP53CA12CA2
SCHEMBL31365268 0.81 CHEK1 (0.65) CHEK1TSHRTP53CA12CA2
SCHEMBL11636020 0.79 CHEK1 (0.68) CHEK1POLBL3MBTL1TTR
SCHEMBL14199812 0.79 CHEK1 (0.84) CHEK1L3MBTL1HPGDALDH1A1TTR
SCHEMBL11548062 0.79 CHEK1 (0.50) CHEK1TSHRTP53CA12CA2
SCHEMBL11014044 0.79 CHEK1 (0.46) CHEK1TSHRTP53CA12CA2
SCHEMBL10626360 0.78 CHEK1 (0.79) CHEK1L3MBTL1HPGDALDH1A1TTR
SCHEMBL11014484 0.78 ALDH1A1 (0.51) CHEK1CA12CA2CA9CA4

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-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 CHEK1 3739/4885TSHR 3263/4885TP53 1492/4885

“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.