SCHEMBL16837745

SCHEMBL16837745

O=[N+]([O-])C=C1COCCOC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MITF O75030 1/20 0.30

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
SCHEMBL265642 0.90
SCHEMBL7506778 0.73 GAA (0.32) GAA
SCHEMBL21409043 0.70
SCHEMBL15868363 0.65
SCHEMBL13928657 0.65 ALDH1A1 (0.36)
SCHEMBL4429892 0.64 KDM4E (0.30)
SCHEMBL27598926 0.64
SCHEMBL28787415 0.63
SCHEMBL1872419 0.62
SCHEMBL12373625 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190734-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Selcia Ltd. (GB) 2017-07-06 US disclosed
US-20170190734-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Selcia Ltd. (GB) 2017-07-06 US disclosed
US-9642889-B2 Macrocyclic inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2017-05-09 US disclosed
US-9642889-B2 Macrocyclic inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2017-05-09 US disclosed
US-20160220633-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2016-08-04 US disclosed
US-20160220633-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2016-08-04 US disclosed
US-20150361132-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2015-12-17 US disclosed
US-20150361132-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2015-12-17 US disclosed
US-9062092-B2 Macrocyclic inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2015-06-23 US disclosed
US-9062092-B2 Macrocyclic inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2015-06-23 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 (3 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-20160220633-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS GAA 499/4885MITF 3065/4885
US-20170190734-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS GAA 499/4885MITF 3065/4885
US-20150361132-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS GAA 499/4885MITF 3065/4885

“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.