SCHEMBL17037908

SCHEMBL17037908

C[n+]1ccccc1/C=C/c1cc2cc3c(cc2oc1=O)C#CCCS(=O)(=O)N3

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ APOBEC3A P31941 2/20 0.33
▸ APOBEC3G Q9HC16 2/20 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
SCHEMBL17037906 0.85 CHAT (0.34) CHATMEN1KMT2APABPC1RAB9A
SCHEMBL17037905 0.84 CHAT (0.34) CHATMEN1KMT2APABPC1RAB9A
SCHEMBL17037903 0.80 CHAT (0.35) CHATMEN1KMT2APABPC1RAB9A
SCHEMBL17037884 0.80 KDM4E (0.34) MEN1KMT2A
SCHEMBL17037904 0.79 CHAT (0.35) CHATMEN1KMT2APABPC1RAB9A
SCHEMBL17037919 0.79 CHAT (0.35) CHATMEN1KMT2APABPC1RAB9A
SCHEMBL17037921 0.78 CHAT (0.35) CHATMEN1KMT2APABPC1RAB9A
SCHEMBL17037924 0.78 CHAT (0.35) CHATMEN1KMT2APABPC1RAB9A
SCHEMBL17037911 0.78 CHAT (0.35) CHATMEN1KMT2APABPC1RAB9A
SCHEMBL17037907 0.76 CHAT (0.33) CHATMEN1KMT2APABPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9547009-B2 Benzocyclooctyne compounds and uses thereof ACADEMIA SINICA (TW) 2017-01-17 — — US disclosed
US-9547009-B2 Benzocyclooctyne compounds and uses thereof ACADEMIA SINICA (TW) 2017-01-17 — — US disclosed
US-20150241439-A1 BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-08-27 — — US disclosed
US-20150241439-A1 BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-08-27 — — 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-20150241439-A1 BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF AADAC, TBCA, SPG11 CHAT 1860/4885MEN1 3600/4885KMT2A 4699/4885

“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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