SCHEMBL12237259

SCHEMBL12237259

COc1ccc(S(=O)(=O)CC(O)c2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
MAPT P10636 5/20 0.54
MMP13 P45452 2/20 0.52
MMP1 P03956 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 2/20 0.49
LMNA P02545 2/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 2/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.48
BCHE P06276 1/20 0.47

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
SCHEMBL28410589 1.00 ALDH1A1 (0.54) ALDH1A1MAPTMMP13MMP1CYP1A2
SCHEMBL28410587 1.00 ALDH1A1 (0.54) ALDH1A1MAPTMMP13MMP1CYP1A2
SCHEMBL12259812 0.94 MMP13 (0.58) MMP13MMP1KMT2AGAAHTT
SCHEMBL12259813 0.87 GAA (0.52) ALDH1A1MMP13MMP1KMT2AGAA
SCHEMBL12237262 0.87 MMP13 (0.51) ALDH1A1MAPTMMP13MMP1KMT2A
SCHEMBL28397210 0.87 HSD11B1 (0.61) ALDH1A1MAPTMMP13MMP1GAA
SCHEMBL28397208 0.87 HSD11B1 (0.61) ALDH1A1MAPTMMP13MMP1GAA
SCHEMBL28748804 0.87 HSD11B1 (0.61) ALDH1A1MAPTMMP13MMP1GAA
SCHEMBL12237256 0.83 KMT2A (0.49) ALDH1A1MAPTMMP13MMP1CYP1A2
SCHEMBL12237255 0.82 KMT2A (0.51) ALDH1A1MAPTCYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9387254-B2 Prodrugs and drug-macromolecule conjugates having controlled drug release rates PROLYNX LLC (US) 2016-07-12 US disclosed
US-20140296476-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC 2014-10-02 US disclosed
US-8680315-B2 Prodrugs and drug-macromolecule conjugates having controlled drug release rates PROLYNX, LLC (US) 2014-03-25 US disclosed
US-20110263502-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX, LLC 2011-10-27 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-20140296476-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES ABCB1, ABCB11, DNPEP ALDH1A1 701/4885MAPT 1308/4885MMP13 102/4885
US-20110263502-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES ABCB1, ABCB11, DNPEP ALDH1A1 701/4885MAPT 1308/4885MMP13 102/4885

“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.