SCHEMBL5890629

SCHEMBL5890629

O=S(=O)(Cl)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PTGS2 P35354 14/20 0.52
PTGS1 P23219 3/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 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
SCHEMBL5891267 1.00 ALDH1A1 (0.54) ALDH1A1HSD17B10TDP1PTGS2PTGS1
SCHEMBL18424825 0.96 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1PTGS2PTGS1
SCHEMBL5890635 0.89 ALDH1A1 (0.50) ALDH1A1HSD17B10TDP1PTGS2PTGS1
SCHEMBL18424824 0.88 PTGS2 (0.64) ALDH1A1HSD17B10TDP1PTGS2PTGS1
SCHEMBL48861 0.82 ALDH1A1 (0.71) ALDH1A1HSD17B10TDP1PTGS2CA12
SCHEMBL21993320 0.82 ALDH1A1 (0.71) ALDH1A1HSD17B10TDP1PTGS2CA12
SCHEMBL28971555 0.81 ALOX5 (0.52) ALDH1A1HSD17B10TDP1PTGS2PTGS1
SCHEMBL29543451 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10TDP1PTGS2PTGS1
SCHEMBL27691428 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10TDP1PTGS2PTGS1
SCHEMBL5174552 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10TDP1PTGS2PTGS1

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
US-7053173-B2 Polymercaptopolyphenyl and process for preparation thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-05-30 US claimed
US-20040092775-A1 Polymercaptopolyphenyl and process for preparation thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2004-05-13 US claimed
EP-1380572-A1 POLYMERCAPTOPOLYPHENYLS AND METHOD FOR SYNTHESIS THEREOF Japan Science and Technology Corporation (JP) 2004-01-14 EP claimed
US-7053173-B2 Polymercaptopolyphenyl and process for preparation thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-05-30 US disclosed
US-20040092775-A1 Polymercaptopolyphenyl and process for preparation thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2004-05-13 US disclosed
EP-1380572-A1 POLYMERCAPTOPOLYPHENYLS AND METHOD FOR SYNTHESIS THEREOF Japan Science and Technology Corporation (JP) 2004-01-14 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 (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-20040092775-A1 Polymercaptopolyphenyl and process for preparation thereof TMT1A, MSMO1, TST ALDH1A1 1396/4885HSD17B10 2246/4885TDP1 1749/4885

“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.