SCHEMBL14218253

SCHEMBL14218253

O=CC=Cc1cc(C=O)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.58
KDM4E B2RXH2 3/20 0.55
PTGS2 P35354 1/20 0.55
RAB9A P51151 1/20 0.55
CDK4 P11802 2/20 0.55
CCND1 P24385 2/20 0.55
ALDH1A1 P00352 5/20 0.48
MAPT P10636 2/20 0.48
ALDH5A1 P51649 3/20 0.46
ABAT P80404 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
TRIM24 O15164 1/20 0.46
HPGD P15428 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
EGFR P00533 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCNB2 O95067 1/20 0.43

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
SCHEMBL1527062 0.81 KDM4E (0.67) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL3437049 0.80 ALDH1A1 (0.59) XDHKDM4ECDK4CCND1ALDH1A1
SCHEMBL3437050 0.80 ALDH1A1 (0.59) XDHKDM4ECDK4CCND1ALDH1A1
SCHEMBL28714595 0.77 CDK4 (0.55) XDHKDM4EPTGS2RAB9ACDK4
SCHEMBL2561644 0.77 ERN1 (0.66) XDHKDM4ECDK4CCND1MAPT
SCHEMBL2561641 0.77 ERN1 (0.66) XDHKDM4ECDK4CCND1MAPT
SCHEMBL2553748 0.77 ERN1 (0.66) XDHCDK4CCND1ALDH1A1MAPT
SCHEMBL2553746 0.77 ERN1 (0.66) XDHCDK4CCND1ALDH1A1MAPT
SCHEMBL28714596 0.77 CDK4 (0.55) XDHKDM4EPTGS2RAB9ACDK4
Caffeoyl Aldehyde SCHEMBL563358 0.74 XDH (1.00) XDHKDM4EPTGS2RAB9ACDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125486-A1 sultosilic acid, 2-(acetyloxy)-5-hydroxybenzenesulfonic acid, or 5-(acetyloxy)-2-hydroxybenzene-sulfonic acid, or 2,5-bis(acetyloxy)benzenesulfonic acid, used for improving the efficacy of chemotherapy, radiotherapy and/or cancer immunotherapy ACTION MEDICINES (ES) 2008-05-29 US disclosed
US-20080113947-A1 2-(acetyloxy)-5-hydroxybenzenesulfonic acid, or 5-(acetyloxy)-2-hydroxybenzene-sulfonic acid, or 2,5-bis(acetyloxy)benzenesulfonic acid, or sultosilic acid for example; combination therapy ACTION MEDICINES (ES) 2008-05-15 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 (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-20080125486-A1 sultosilic acid, 2-(acetyloxy)-5-hydroxybenzenesulfonic acid, or 5-(acetyloxy)-2-hydroxybenzene-sulfonic acid, or 2,5-bis(acetyloxy)benzenesulfonic acid, used for improving the efficacy of chemotherapy, radiotherapy and/or cancer immunotherapy STS, MPST, TST XDH 3346/4885KDM4E 1472/4885PTGS2 1568/4885
US-20080113947-A1 2-(acetyloxy)-5-hydroxybenzenesulfonic acid, or 5-(acetyloxy)-2-hydroxybenzene-sulfonic acid, or 2,5-bis(acetyloxy)benzenesulfonic acid, or sultosilic acid for example; combination therapy ARSA, STS, SULT2A1 XDH 871/4885KDM4E 3830/4885PTGS2 318/4885

“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.