SCHEMBL5765848

SCHEMBL5765848

CC(C)(C)OC(=O)NN=Cc1ccc(C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 1.00
MIF P14174 2/20 0.74
RAB9A P51151 7/20 0.72
SMN1; SMN2 Q16637 6/20 0.72
NPC1 O15118 5/20 0.72
RECQL P46063 1/20 0.72
KDM4E B2RXH2 5/20 0.64
LMNA P02545 2/20 0.57
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.53
PKM P14618 1/20 0.53
MITF O75030 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
TDP1 Q9NUW8 2/20 0.49
ESRRG P62508 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL8471959 0.90 MAPT (0.81) MAPTMIFRAB9ASMN1; SMN2NPC1
SCHEMBL6423387 0.86 MAPT (0.76) MAPTMIFRAB9ASMN1; SMN2NPC1
SCHEMBL3266677 0.86 MAPT (0.76) MAPTMIFRAB9ASMN1; SMN2NPC1
SCHEMBL12979794 0.86 MAPT (0.76) MAPTMIFRAB9ASMN1; SMN2NPC1
SCHEMBL13401232 0.85 MIF (0.78) MAPTMIFRAB9ASMN1; SMN2NPC1
SCHEMBL6444640 0.85 MIF (1.00) MAPTMIFRAB9ASMN1; SMN2NPC1
SCHEMBL6444643 0.85 MIF (1.00) MAPTMIFRAB9ASMN1; SMN2NPC1
SCHEMBL6444624 0.84 MAPT (0.72) MAPTMIFRAB9ASMN1; SMN2NPC1
SCHEMBL17290220 0.84 MIF (0.76) MAPTMIFRAB9ASMN1; SMN2NPC1
SCHEMBL5373502 0.84 MIF (0.76) MAPTMIFRAB9ASMN1; SMN2NPC1

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
EP-1244660-B1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-03-22 EP disclosed
US-20030181449-A1 Methods and compositions for the treatment of pain ASTRAZENCA AB (SE) 2003-09-25 US disclosed
EP-1244660-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2002-10-02 EP disclosed
WO-2001047924-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2001-07-05 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-20030181449-A1 Methods and compositions for the treatment of pain OPRK1, ACHE, OPRD1 MAPT 2472/4885MIF 2996/4885RAB9A 3020/4885

“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.