SCHEMBL13041561

SCHEMBL13041561

CC(=O)OC1=C(c2nc(-c3ccc(Br)cn3)sc2C)C(=O)C(C)(C)OC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL13041564 0.90 L3MBTL1 (0.31) ADAMTS5
SCHEMBL13041565 0.83 GLA (0.31) —
SCHEMBL10238190 0.72 ADAMTS5 (0.31) ADAMTS5
SCHEMBL13041566 0.72 KDM4E (0.34) —
SCHEMBL13041498 0.70 GSK3A (0.31) NPC1RAB9A
SCHEMBL13058567 0.67 KDM4E (0.35) —
SCHEMBL10238194 0.67 KDM4E (0.37) ADAMTS5
SCHEMBL12129763 0.65 IL2 (0.37) NPC1RAB9A
SCHEMBL13078088 0.63 — —
SCHEMBL15800894 0.61 IL2 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8956999-B2 Herbicides SYNGENTA LIMITED (GB) 2015-02-17 — — US disclosed
US-8956999-B2 Herbicides SYNGENTA LIMITED (GB) 2015-02-17 — — US disclosed
US-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — US disclosed
US-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — US disclosed
WO-2009000533-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2008-12-31 — — WO 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-20100279868-A1 NOVEL HERBICIDES DDT, HPD, HSD17B1 ADAMTS5 2457/4885NPC1 4588/4885RAB9A 4207/4885

“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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