SCHEMBL13455948

SCHEMBL13455948

CN(C)C(=O)N[C@@H](C=O)c1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.44
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ CXCR1 P25024 2/20 0.33
▸ CXCR2 P25025 2/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ ACKR3 P25106 1/20 0.32
▸ OPRM1 P35372 5/20 0.32
▸ OPRK1 P41145 3/20 0.32
▸ OPRD1 P41143 2/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL29958333 0.83 ALOX5 (0.44) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12066891 0.80 ALOX5 (0.42) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29957322 0.77 CTSK (0.46) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13455984 0.77 ALOX5 (0.39) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15974149 0.75 ALOX5 (0.45) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL15974563 0.74 ALOX5 (0.44) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10475340 0.72 NQO2 (0.36) ALOX5
SCHEMBL6621767 0.69 — —
SCHEMBL29951738 0.69 CTRB1 (0.49) ALDH1A1
SCHEMBL7572372 0.67 ALOX5 (0.51) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100061960-A1 Amido Anti-Viral Compounds, Compositions, And Methods Of Use SCHMITZ FRANZ ULRICH 2010-03-11 — — 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-20100061960-A1 Amido Anti-Viral Compounds, Compositions, And Methods Of Use HAVCR2, OAT, MAVS ALOX5 636/4885CHRNB2 4619/4885CHRNB4 4423/4885

“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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