SCHEMBL1282508

SCHEMBL1282508

CCNC(=O)Nc1nc2cc(OS(=O)(=O)C(F)(F)F)cc(/C=N/OC)c2s1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.43
PIK3CA P42336 2/20 0.41
PIK3CG P48736 2/20 0.41
PIK3CD O00329 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDR P35968 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
SCHEMBL1282511 1.00 ABL1 (0.43) ABL1PIK3CAPIK3CGPIK3CDNPC1
SCHEMBL1292371 0.82 ABL1 (0.41) ABL1PIK3CAPIK3CGPIK3CDNPC1
SCHEMBL1283113 0.82 ABL1 (0.41) ABL1PIK3CAPIK3CGPIK3CDNPC1
SCHEMBL1283009 0.81 ABL1 (0.47) ABL1PIK3CAPIK3CGPIK3CDNPC1
SCHEMBL1283010 0.81 ABL1 (0.47) ABL1PIK3CAPIK3CGPIK3CDNPC1
SCHEMBL1282583 0.81 ABL1 (0.47) ABL1PIK3CAPIK3CGNPC1RAB9A
SCHEMBL1282587 0.81 ABL1 (0.47) ABL1PIK3CAPIK3CGNPC1RAB9A
SCHEMBL1282103 0.81 ABL1 (0.43) ABL1PIK3CAPIK3CGPIK3CDNPC1
SCHEMBL1282766 0.80 ABL1 (0.42) ABL1PIK3CAPIK3CGPIK3CDNPC1
SCHEMBL3662050 0.77 NPC1 (0.56) ABL1PIK3CAPIK3CGPIK3CDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS ABL1 537/4885PIK3CA 1700/4885PIK3CG 1394/4885

“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.