SCHEMBL2128267

SCHEMBL2128267

COc1ncccc1-c1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c(OC)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.47
CDK9 P50750 1/20 0.45
ABL1 P00519 1/20 0.44
HPGD P15428 3/20 0.44
MAPK10 P53779 1/20 0.44
CYP3A4 P08684 3/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NAMPT P43490 1/20 0.43
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1542554 0.86 SCN5A (0.45) TRPV1ABL1HPGDMAPTSCN5A
SCHEMBL1542766 0.83 CYP3A4 (0.45) TRPV1CDK9ABL1CYP3A4SCN9A
SCHEMBL1542261 0.83 KDR (0.46) TRPV1ABL1HPGDMAPTSCN5A
SCHEMBL1542369 0.82 CYP3A4 (0.65) TRPV1CDK9ABL1HPGDMAPK10
SCHEMBL2745714 0.79 CYP3A4 (0.46) TRPV1CDK9HPGDMAPK10CYP3A4
SCHEMBL2128632 0.79 CYP3A4 (0.47) TRPV1CDK9HPGDMAPK10CYP3A4
SCHEMBL12678915 0.79 SCN5A (0.41) ABL1HPGDNAMPTSCN5ASCN9A
SCHEMBL2130058 0.79 CYP3A4 (0.69) ABL1MAPK10CYP3A4SCN9A
SCHEMBL2128083 0.78 CYP3A4 (0.48) CDK9HPGDMAPK10CYP3A4MAPT
SCHEMBL1542573 0.77 SCN5A (0.40) TRPV1ABL1CYP3A4SCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B TRPV1 4645/4885CDK9 19/4885ABL1 584/4885

“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.