SCHEMBL2632239

SCHEMBL2632239

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(F)cccc2I)n1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
CDK1 P06493 1/20 0.46
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
CYP1A2 P05177 2/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL2622463 0.94 GAA (0.55) GAACDK1MAPTTP53GLA
SCHEMBL3777329 0.87 GAA (0.61) GAACDK1MAPTTP53GLA
SCHEMBL10730763 0.85 GAA (0.58) GAACDK1MAPTTP53GLA
SCHEMBL2622461 0.81 GAA (0.51) GAACDK1MAPTTP53GLA
SCHEMBL1868502 0.81 GAA (0.53) GAACDK1MAPTTP53GLA
SCHEMBL10984018 0.80 GAA (0.60) GAACDK1MAPTTP53GLA
SCHEMBL8883721 0.80 GAA (0.57) GAACDK1MAPTTP53GLA
SCHEMBL10733156 0.79 GAA (0.52) GAACDK1MAPTTP53GLA
SCHEMBL13369425 0.78 GAA (0.58) GAACDK1MAPTTP53GLA
SCHEMBL10616134 0.78 GAA (0.67) GAACDK1MAPTTP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
WO-2009023059-A2 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-02-19 WO 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 (2 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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 GAA 166/4885CDK1 912/4885MAPT 2526/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 GAA 166/4885CDK1 912/4885MAPT 2526/4885

“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.