SCHEMBL5884552

SCHEMBL5884552

CCOC(=O)C(C)(C)C(=O)c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.58
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
CA7 P43166 5/20 0.58
CA9 Q16790 5/20 0.58
CA14 Q9ULX7 5/20 0.58
ESR1 P03372 3/20 0.58
ESR2 Q92731 1/20 0.58
TSHR P16473 4/20 0.50
ALDH1A1 P00352 2/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
KDR P35968 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 2/20 0.47
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
NR1H2 P55055 1/20 0.47

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
SCHEMBL8790226 0.88 CA2 (0.44) CA12CA1CA2CA7CA9
SCHEMBL27585605 0.85 MAPT (0.48) ALDH1A1TDP1MAPK1CYP1A2LMNA
SCHEMBL8790853 0.85 TSHR (0.58) TSHRALDH1A1TDP1CYP1A2LMNA
SCHEMBL5883880 0.85 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL4621876 0.84 PIN1 (0.51) TSHRALDH1A1TDP1MAPK1LMNA
SCHEMBL10558526 0.80 L3MBTL1 (0.49) CA1CA2ALDH1A1TDP1MAPK1
SCHEMBL5885017 0.78 MAOB (0.57) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL1373141 0.78 ESR1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL757379 0.78 MAPT (0.49) TSHRALDH1A1MAPK1CYP1A2LMNA
SCHEMBL3611806 0.77 ESR1 (0.54) CA12CA1CA2CA7CA9

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 CA12 449/4885CA1 147/4885CA2 853/4885

“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.