SCHEMBL5884820

SCHEMBL5884820

COc1ccc2cc(C(O)C(C)(C)C(=O)NO)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.56
▸ AKR1C3 P42330 6/20 0.51
▸ AKR1C2 P52895 6/20 0.51
▸ PTGS2 P35354 4/20 0.51
▸ PTGS1 P23219 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ CDC42 P60953 1/20 0.51
▸ RAC1 P63000 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ SLC22A6 Q4U2R8 1/20 0.51
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ AKR1C1 Q04828 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ABCB11 O95342 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4284739 0.75 CYP26A1 (0.65) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL306953 0.74 ABCB11 (0.54) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL10333407 0.72 ABCB11 (0.51) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL9797170 0.71 ALOX5 (1.00) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL13340952 0.71 PTGS2 (0.66) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL4280477 0.71 GABBR2 (0.49) ALOX5CYP1A2LMNAMAPTCYP2C9
SCHEMBL11778937 0.71 AKR1C3 (0.71) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL22217506 0.71 PTGS2 (0.69) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL20887115 0.71 PTGS2 (0.69) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11782635 0.71 AKR1C3 (0.56) ALOX5AKR1C3AKR1C2PTGS2PTGS1

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-7102008-B2 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-05 — — US claimed
US-20040063698-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 — — US claimed
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 claimed
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 ALOX5 2741/4885AKR1C3 2969/4885AKR1C2 3162/4885

“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.

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