SCHEMBL2128632

SCHEMBL2128632

COc1c(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc(C)[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
HPGD P15428 3/20 0.42
MAPK10 P53779 1/20 0.42
MAPK14 Q16539 3/20 0.40
CRBN Q96SW2 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
F10 P00742 1/20 0.38
CDK9 P50750 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
BRAF P15056 1/20 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
SCHEMBL1542369 0.86 CYP3A4 (0.65) CYP3A4HPGDMAPK10MAPK14ALDH1A1
SCHEMBL2128083 0.83 CYP3A4 (0.48) CYP3A4HPGDMAPK10MAPK14CRBN
SCHEMBL2745714 0.79 CYP3A4 (0.46) CYP3A4HPGDMAPK10MAPK14ALDH1A1
SCHEMBL2128267 0.79 TRPV1 (0.47) CYP3A4HPGDMAPK10MAPK14ALDH1A1
SCHEMBL2127702 0.79 CYP3A4 (0.75) CYP3A4CRBNTRPV1
SCHEMBL1542479 0.79 CYP3A4 (0.75) CYP3A4CRBNEPHX2NR1H4TRPV1
SCHEMBL2127697 0.79 CYP3A4 (0.75) CYP3A4CRBNTRPV1
SCHEMBL2129460 0.78 CYP3A4 (0.59) CYP3A4HPGDMAPK10MAPK14CRBN
SCHEMBL2129383 0.77 CYP3A4 (0.53) CYP3A4MAPK14ALDH1A1SMN1; SMN2MEN1
SCHEMBL2130343 0.76 CYP3A4 (0.57) CYP3A4HPGDMAPK10CRBNCDK9

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 claimed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP claimed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US claimed

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 CYP3A4 528/4885HPGD 2497/4885MAPK10 3335/4885

“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.