SCHEMBL9985608

SCHEMBL9985608

Cc1ccc(S(=O)(=O)O)c(-n2ccccc2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
F2 P00734 2/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
MPL P40238 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
BLM P54132 1/20 0.35
ELANE P08246 1/20 0.34
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL17059031 0.78 HSD17B10 (0.49) CA1CA2CA12CA9CA14
SCHEMBL3091743 0.75 MAPT (0.49) MYCCA1CA2CA12CA9
SCHEMBL8306577 0.74 NPSR1 (0.47) CA1CA2CA12CA9CA14
SCHEMBL8306979 0.72 METAP2 (0.48) CA1CA2CA12CA9CA14
SCHEMBL8306550 0.72 MAP3K5 (0.40) CA1CA2CA12CA9CA14
SCHEMBL11236950 0.72 NPC1 (0.60) MYCALDH1A1KDM4EMAPTHPGD
SCHEMBL3349831 0.72 ALDH1A1 (0.36) CA1CA2CA12CA9CA14
SCHEMBL6670342 0.71 CA12 (0.46) MYCCA1CA2CA12CA9
SCHEMBL9828029 0.69 MYC (0.40) MYCCA1CA2CA12CA9
SCHEMBL14502103 0.69 ALDH1A1 (0.36) CA1CA2CA12CA9CA14

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-8889638-B2 Stimulus-triggered prodrugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-18 US disclosed
US-20110312905-A1 STIMULUS-TRIGGERED PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-22 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-20110312905-A1 STIMULUS-TRIGGERED PRODRUGS PREP, ADAM10, DNPEP MYC 1916/4885CA1 302/4885CA2 749/4885

“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.