SCHEMBL16975224

SCHEMBL16975224

CCNC(=O)Nc1nc2cc(-c3cnc(NS(=O)(=O)N4CCOCC4)nc3)cc(-c3ccc(C)cn3)c2s1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ ABL1 P00519 2/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ AKT2 P31751 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ AKT3 Q9Y243 1/20 0.37
▸ MTOR P42345 1/20 0.37

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
SCHEMBL16975269 0.93 PIK3C3 (0.37) ABL1
SCHEMBL16975210 0.91 AXL (0.36) —
SCHEMBL16975333 0.90 NPY5R (0.41) ABL1
SCHEMBL16975235 0.88 ABL1 (0.34) ABL1
SCHEMBL16975244 0.88 ABL1 (0.34) ABL1
SCHEMBL16975354 0.88 ABL1 (0.34) ABL1
SCHEMBL16975312 0.87 ABL1 (0.37) ABL1
SCHEMBL16975277 0.86 NPC1 (0.41) ABL1PIK3CA
SCHEMBL16975230 0.86 NPC1 (0.41) ABL1PIK3CA
SCHEMBL16975263 0.86 LMNA (0.34) ABL1

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-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 — — US claimed
US-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 — — US disclosed
EP-3102203-A2 ANTIBACTERIAL COMBINATIONS COMPRISING POLYMYXIN SPERO GYRASE, INC. (US) 2016-12-14 — — EP disclosed
WO-2015114452-A2 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2015-08-06 — — 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-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA MAPT 4048/4885ABL1 294/4885AKT1 1040/4885

“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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