SCHEMBL6649744

SCHEMBL6649744

CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
RAB9A P51151 4/20 0.35
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
NPC1 O15118 3/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAOA P21397 1/20 0.34
EPHX2 P34913 1/20 0.34
MIF P14174 1/20 0.34
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL24414259 0.87 MIF (0.47) MAPTNFKB1NFKB2RELARAB9A
SCHEMBL7985945 0.83 MAPT (0.35) MAPTNFKB1NFKB2RELARAB9A
SCHEMBL7985951 0.83 MAPT (0.35) MAPTNFKB1NFKB2RELARAB9A
SCHEMBL6676440 0.80 GAA (0.47) MAPTRAB9ANPC1LMNACYP3A4
SCHEMBL15588634 0.79 MEN1 (0.46) MAPTNFKB1NFKB2RELARAB9A
SCHEMBL29803908 0.78 MAP4K4 (0.40) MAPTRAB9ALMNAMEN1KMT2A
SCHEMBL7438712 0.76 ADRB2 (0.40) MAPTNFKB1NFKB2RELAADRB2
SCHEMBL6223820 0.76 CA1 (0.49) MAPTEPHX2RECQLGAATDP1
SCHEMBL21431059 0.76 CA1 (0.49) MAPTEPHX2RECQLGAATDP1
SCHEMBL6223818 0.76 CA1 (0.49) MAPTEPHX2RECQLGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482940-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2004-12-08 EP disclosed
US-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-04-29 US disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 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-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, PLG MAPT 4848/4885NFKB1 735/4885NFKB2 1213/4885

“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.