SCHEMBL9985987

SCHEMBL9985987

Cc1ccc(S(=O)(=O)Oc2c(C)occc2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CYP2C19 P33261 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
VDR P11473 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL9986372 0.88 LMNA (0.54) CA12CA2KMT2ALMNAGAA
SCHEMBL9986257 0.84 ALPL (0.49) CA12CA2LMNAGAAALDH1A1
SCHEMBL22717108 0.77 LMNA (0.48) KMT2AMEN1LMNAGAAKDM4E
SCHEMBL1560241 0.73 LMNA (0.48) KMT2AMEN1LMNAGAAKDM4E
SCHEMBL4126086 0.72 MEN1 (0.60) CA12CA2KMT2AMEN1LMNA
SCHEMBL18179825 0.72 MEN1 (0.60) CA12CA2KMT2AMEN1LMNA
SCHEMBL9852204 0.72 MEN1 (0.60) CA12CA2KMT2AMEN1LMNA
SCHEMBL9986849 0.71 KDM4E (0.41) CA2KMT2AMEN1LMNAGAA
Iodide SCHEMBL22068772 0.70 CA2 (0.59) CA12CA2KMT2AMEN1LMNA
SCHEMBL7100551 0.70 LMNA (0.54) KMT2AMEN1LMNAGAAKDM4E

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 CA12 1653/4885CA2 749/4885KMT2A 4143/4885

“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.