SCHEMBL16975240

SCHEMBL16975240

CCNC(=O)Nc1nc2cc(-c3cnc(NS(=O)(=O)C(C)(C)C)nc3)cc(-c3cnc(N(C)C)nc3)c2s1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PIK3CD O00329 1/20 0.36

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
SCHEMBL16975555 0.86 ABL1 (0.38) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL16975452 0.85 PIK3CD (0.40) ABL1PIK3CD
SCHEMBL16975352 0.85 MAPK1 (0.42) ABL1
SCHEMBL16975261 0.85 ABL1 (0.40) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL16975481 0.84 ABL1 (0.40) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL16975259 0.84 ABL1 (0.35) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL16975213 0.84 NPC1 (0.39) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL16975375 0.84 NPC1 (0.43) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL16975372 0.83 NPC1 (0.39) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL16975297 0.83 ABL1 (0.40) ABL1NPC1RAB9ASMN1; SMN2

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 ABL1 294/4885NPC1 1397/4885RAB9A 845/4885

“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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