SCHEMBL4056795

SCHEMBL4056795

Cc1ccc2cccc(OCc3ccc(C(=O)O)cc3)c2n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
PTGDR2 Q9Y5Y4 1/20 0.60
RXRA P19793 5/20 0.59
RXRB P28702 4/20 0.59
RXRG P48443 3/20 0.59
KDM4E B2RXH2 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53

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
SCHEMBL3949886 0.85 MEN1 (0.78) MEN1KMT2APTGDR2KDM4EMAPT
SCHEMBL9951462 0.82 MEN1 (1.00) MEN1KMT2APTGDR2KDM4EHDAC6
SCHEMBL28586174 0.81 MEN1 (1.00) MEN1KMT2APTGDR2KDM4EHDAC6
SCHEMBL9952184 0.81 MEN1 (0.77) MEN1KMT2APTGDR2KDM4EALDH1A1
SCHEMBL9951369 0.80 MEN1 (0.75) MEN1KMT2APTGDR2KDM4EHDAC6
SCHEMBL4050269 0.80 MEN1 (0.74) MEN1KMT2APTGDR2KDM4EALDH1A1
SCHEMBL9951450 0.79 MEN1 (0.78) MEN1KMT2APTGDR2KDM4EALDH1A1
SCHEMBL9951200 0.78 MEN1 (0.71) MEN1KMT2APTGDR2KDM4EMAPT
SCHEMBL9951114 0.78 MEN1 (0.76) MEN1KMT2APTGDR2KDM4EHDAC6
SCHEMBL6120364 0.77 RXRA (0.55) RXRARXRBRXRGHPGDSMN1; 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 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 MEN1 1271/4885KMT2A 3634/4885PTGDR2 1895/4885
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM9 MEN1 1044/4885KMT2A 3913/4885PTGDR2 1942/4885
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 MEN1 1271/4885KMT2A 3634/4885PTGDR2 1895/4885

“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.