SCHEMBL2622463

SCHEMBL2622463

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CDK1 P06493 1/20 0.41
CYP1A2 P05177 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2632239 0.94 GAA (0.63) GAANPC1RAB9ACDK1CYP1A2
SCHEMBL10733156 0.86 GAA (0.52) GAATSHRSMN1; SMN2NPC1RAB9A
SCHEMBL3777329 0.81 GAA (0.61) GAACDK1CYP1A2TP53GLA
SCHEMBL10730763 0.79 GAA (0.58) GAATSHRSMN1; SMN2NPC1RAB9A
SCHEMBL11121612 0.79 TSHR (0.69) GAATSHRSMN1; SMN2TP53GLA
SCHEMBL10877469 0.78 GAA (0.54) GAATSHRSMN1; SMN2CDK1CYP1A2
SCHEMBL10987885 0.78 GAA (0.48) GAATSHRSMN1; SMN2CDK1TP53
SCHEMBL2622461 0.77 GAA (0.51) GAASMN1; SMN2CDK1CYP1A2TP53
SCHEMBL11560856 0.77 GAA (0.55) GAATSHRSMN1; SMN2CDK1TP53
SCHEMBL10885268 0.76 GAA (0.54) GAATSHRSMN1; SMN2NPC1CDK1

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-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

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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 GAA 166/4885TSHR 4401/4885SMN1; SMN2 2585/4885

“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.