SCHEMBL9985685

SCHEMBL9985685

Cc1occc(=O)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 4/20 0.41
ALPI P09923 3/20 0.41
LDHA P00338 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAOA P21397 1/20 0.37
GUSB P08236 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL9986257 0.83 ALPL (0.49) ALPLALPILDHAALDH1A1MAOA
SCHEMBL9986769 0.78 CA12 (0.42) ALPLALPIALDH1A1CYP3A4CYP1A2
SCHEMBL29577728 0.76 ALPL (0.49) ALPLALPIALDH1A1CYP3A4CYP1A2
SCHEMBL11817089 0.72 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL28741180 0.72 ALDH1A1 (0.47) ALPLALPIALDH1A1CYP3A4CYP1A2
SCHEMBL4450405 0.72 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL9986844 0.72 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL28535628 0.71 ALPL (0.46) ALPLALPIALDH1A1CYP3A4CYP1A2
SCHEMBL29274922 0.71 ALDH1A1 (0.46) ALPLALPIALDH1A1CYP3A4CYP1A2
SCHEMBL20547997 0.71 CYP1A2 (0.58) ALPLALPIALDH1A1CYP3A4CYP1A2

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 ALPL 500/4885ALPI 769/4885LDHA 1723/4885

“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.