SCHEMBL4051855

SCHEMBL4051855

CCc1nn2ccccc2c1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.55
MMP3 P08254 2/20 0.55
HDAC1 Q13547 2/20 0.48
DHFR P00374 1/20 0.46
KCNH2 Q12809 1/20 0.45
ALDH1A1 P00352 1/20 0.43
RARG P13631 2/20 0.41
RORC P51449 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
AGTR1 P30556 4/20 0.41
PPARG P37231 2/20 0.41
AGTR2 P50052 2/20 0.40
SRD5A2 P31213 1/20 0.40
TSHR P16473 1/20 0.40
KAT8 Q9H7Z6 1/20 0.39
MMP7 P09237 2/20 0.39
SLC22A12 Q96S37 1/20 0.39

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
SCHEMBL6631574 0.89 HDAC1 (0.52) MMP12MMP3HDAC1KCNH2ALDH1A1
SCHEMBL4444748 0.82 HDAC1 (0.54) MMP12MMP3HDAC1KCNH2ALDH1A1
SCHEMBL4444744 0.81 MMP12 (0.46) MMP12MMP3HDAC1KCNH2MEN1
SCHEMBL4059249 0.79 MMP12 (0.44) MMP12MMP3HDAC1KCNH2ALDH1A1
SCHEMBL23382438 0.76 HDAC1 (0.46) MMP12MMP3HDAC1KCNH2ALDH1A1
SCHEMBL6631576 0.76 MIF (0.39) MMP12MMP3HDAC1KCNH2ALDH1A1
SCHEMBL2035471 0.76 EGFR (0.48) HDAC1KCNH2ALDH1A1MEN1LMNA
SCHEMBL1780171 0.75 HDAC1 (0.46) MMP12MMP3HDAC1KCNH2ALDH1A1
SCHEMBL7510620 0.74 AGTR1 (0.61) AGTR1PPARGAGTR2
SCHEMBL8878630 0.72 EGFR (0.48) ALDH1A1MEN1KMT2AAGTR1AGTR2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP disclosed
US-7482372-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2005-08-04 US disclosed
US-6906053-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-6890915-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-05-10 US disclosed
US-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2004-10-21 US disclosed
EP-1397137-A4 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
EP-1397137-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-17 EP disclosed
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-10 US disclosed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 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 (3 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-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 MMP12 26/4885MMP3 7/4885HDAC1 85/4885
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM9 MMP12 23/4885MMP3 12/4885HDAC1 88/4885
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 MMP12 26/4885MMP3 7/4885HDAC1 85/4885

“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.