SCHEMBL13455984

SCHEMBL13455984

CC(C)(C)NC(=O)N[C@@H](C=O)c1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.39
▸ TRPA1 O75762 1/20 0.35
▸ CTSK P43235 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ CTSS P25774 2/20 0.32
▸ OPRM1 P35372 2/20 0.32
▸ OPRD1 P41143 2/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 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 0.80 ALOX5 (0.44) ALOX5ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL29957322 0.80 CTSK (0.46) ALOX5CTSKCTSSCHRNB2CHRNB4
SCHEMBL12066891 0.78 ALOX5 (0.42) ALOX5CTSKKMT2ACTSSALDH1A1
SCHEMBL13455948 0.77 ALOX5 (0.44) ALOX5OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL15974149 0.73 ALOX5 (0.45) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL15974563 0.72 ALOX5 (0.44) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10475340 0.70 NQO2 (0.36) ALOX5NPC1RAB9A
SCHEMBL13762122 0.68 NPC1 (0.56) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL6621767 0.67 — —
SCHEMBL29951738 0.67 CTRB1 (0.49) CTSSLMNAALDH1A1

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 636/4885TRPA1 2470/4885CTSK 1278/4885

“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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