SCHEMBL9985651

SCHEMBL9985651

Cc1c(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(=O)ccn1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.46
ALPI P09923 2/20 0.46
MAOA P21397 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA13 Q8N1Q1 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
PTGS2 P35354 1/20 0.38
PARL Q9H300 1/20 0.38
ADORA2B P29275 2/20 0.37

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
SCHEMBL9986849 0.85 KDM4E (0.41) ALDH1A1HSP90AA1CA1CA2KDM4E
SCHEMBL9986769 0.83 CA12 (0.42) ALPLALPIALDH1A1CA1CA2
SCHEMBL9986035 0.82 KDM4E (0.41) ALPLALDH1A1HSP90AA1PARLKDM4E
SCHEMBL9986257 0.75 ALPL (0.49) ALPLALPIMAOAALDH1A1HSP90AA1
SCHEMBL15790433 0.69 CYP2C9 (0.53) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL15022229 0.69 CA1 (0.47) ALPLALPIMAOAALDH1A1HSP90AA1
SCHEMBL929164 0.68 ALPL (0.53) ALPLALPIMAOAALDH1A1HSP90AA1
SCHEMBL2234824 0.68 HSP90AA1 (0.63) ALPLALPIMAOAALDH1A1HSP90AA1
SCHEMBL1061125 0.68 HSP90AA1 (0.63) ALPLALPIMAOAALDH1A1HSP90AA1
SCHEMBL18263202 0.67 CA2 (0.49) ALPLALPIMAOAALDH1A1HSP90AA1

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 769/4885MAOA 539/4885

“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.