SCHEMBL4883097

SCHEMBL4883097

COC(=O)/C(=C/c1cccc(Br)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
RECQL P46063 1/20 0.40
HSD17B3 P37058 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
SLC6A19 Q695T7 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
HDAC3 O15379 1/20 0.35

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
SCHEMBL8364996 1.00 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ARECQLHSD17B3
SCHEMBL4886669 0.89 AKR1C3 (0.43) SMN1; SMN2NPC1RAB9ARECQLHSD17B3
SCHEMBL4886670 0.89 AKR1C3 (0.43) SMN1; SMN2NPC1RAB9ARECQLHSD17B3
SCHEMBL4886664 0.89 AKR1C3 (0.43) SMN1; SMN2NPC1RAB9ARECQLHSD17B3
SCHEMBL2808687 0.87 MIF (0.40) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL2808690 0.87 MIF (0.40) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL13125661 0.87 MIF (0.40) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL5140506 0.85 NPSR1 (0.38) SMN1; SMN2NPC1RAB9ARECQLMAPT
SCHEMBL8364952 0.85 NPSR1 (0.38) SMN1; SMN2NPC1RAB9ARECQLMAPT
SCHEMBL5140504 0.85 NPSR1 (0.38) SMN1; SMN2NPC1RAB9ARECQLMAPT

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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 US disclosed
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 US disclosed
EP-1869068-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AiCuris GmbH & Co. KG (DE) 2007-12-26 EP disclosed
WO-2006103015-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2006-10-05 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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 SMN1; SMN2 4001/4885NPC1 2382/4885RAB9A 2388/4885

“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.