SCHEMBL12678598

SCHEMBL12678598

C/C=C/c1ccc(NS(C)(=O)=O)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ HPGD P15428 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL28420434 0.83 KDM4E (0.40) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL29883804 0.83 KDM4E (0.40) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL21355214 0.73 RAB9A (0.46) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL21355211 0.73 RAB9A (0.46) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL12508238 0.73 KDM4E (0.58) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL3554742 0.73 KEAP1 (0.52) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL15836266 0.73 KEAP1 (0.52) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL13662053 0.72 PTGS1 (0.46) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL13358909 0.72 PIK3CG (0.36) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL12018120 0.72 KDM4E (0.60) KDM4EALDH1A1LMNATSHRAOC3

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-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 — — US 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 KDM4E 1962/4885ALDH1A1 1136/4885HPGD 2497/4885

“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.

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