SCHEMBL5884516

SCHEMBL5884516

COC(=O)CC(Cc1ccccc1)C1=COCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
MIF P14174 1/20 0.41
ABCB1 P08183 2/20 0.40
MAOB P27338 1/20 0.38
MMP1 P03956 2/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.37
PKM P14618 2/20 0.37
GAA P10253 1/20 0.37
KCNA5 P22460 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL3561899 0.88 L3MBTL1 (0.41) MTNR1AMTNR1BMIFSMN1; SMN2ALDH1A1
SCHEMBL15547346 0.85 MTNR1A (0.43) MTNR1AMTNR1BMIFHPGDSMN1; SMN2
SCHEMBL1430902 0.85 MIF (0.56) MTNR1AMTNR1BMIFHPGDSMN1; SMN2
SCHEMBL3563505 0.83 MIF (0.43) MTNR1AMTNR1BMIFHPGDSMN1; SMN2
SCHEMBL1011206 0.82 MTNR1A (0.60) MTNR1AMTNR1BMIFALDH1A1PKM
SCHEMBL4391737 0.79 ESR1 (0.43) MIFALDH1A1GAAMEN1POLB
SCHEMBL3748652 0.78 TRPA1 (0.40) MTNR1AMTNR1BMIFHPGDSMN1; SMN2
SCHEMBL27617788 0.76 MTNR1A (0.58) MTNR1AMTNR1BABCB1MAOBMMP1
SCHEMBL3559900 0.76 MTNR1A (0.43) MTNR1AMTNR1BMIFHPGDSMN1; SMN2
SCHEMBL3562176 0.76 CTRB1 (0.43) MTNR1AMTNR1BTSHRCYP3A4

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 MTNR1A 1910/4885MTNR1B 2818/4885MIF 137/4885

“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.