SCHEMBL5884767

SCHEMBL5884767

COC(=O)C(C)C(O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.58
NPY5R Q15761 1/20 0.56
ALOX5 P09917 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ACACB O00763 1/20 0.53
MAOB P27338 1/20 0.51

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
SCHEMBL5380768 0.85 LTA4H (0.57) LTA4HNPY5RALOX5NPC1RAB9A
SCHEMBL6266373 0.85 LTA4H (0.59) LTA4HALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7444074 0.85 LTA4H (0.62) LTA4HALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL10603321 0.85 LTA4H (0.62) LTA4HALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7070156 0.84 LTA4H (0.56) LTA4HNPY5RALOX5NPC1RAB9A
SCHEMBL31579489 0.83 LTA4H (0.60) LTA4HALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL4600612 0.82 L3MBTL1 (0.58) NPY5RALOX5RAB9ASMN1; SMN2LMNA
SCHEMBL2840120 0.82 LTA4H (0.59) LTA4HALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL3882630 0.81 LTA4H (0.50) LTA4HALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL3882627 0.81 LTA4H (0.50) LTA4HALOX5NPC1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7102008-B2 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-05 US disclosed
US-20040063698-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2004012663-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 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-20040063698-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme MMP9, ADAM17, MMP3 LTA4H 492/4885NPY5R 1562/4885ALOX5 2741/4885

“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.