SCHEMBL4058335

SCHEMBL4058335

O=C(O)c1ccc(OCc2cccc3ccccc23)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.76
FFAR1 O14842 1/20 0.67
AKR1B1 P15121 1/20 0.67
NR4A2 P43354 2/20 0.64
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
NR4A1 P22736 1/20 0.59
NR4A3 Q92570 1/20 0.59
PTPRC P08575 1/20 0.56
PTPN1 P18031 1/20 0.56
SRD5A2 P31213 1/20 0.55
GPBAR1 Q8TDU6 1/20 0.55
PKM P14618 1/20 0.54
PARP15 Q460N3 1/20 0.53
PLA2G4B P0C869 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL9582768 0.98 PARP10 (0.74) PARP10FFAR1AKR1B1NR4A2MEN1
SCHEMBL9582750 0.98 PARP10 (0.74) PARP10FFAR1AKR1B1NR4A2MEN1
SCHEMBL9582758 0.85 PARP10 (0.72) PARP10FFAR1AKR1B1NR4A2MEN1
SCHEMBL7222374 0.85 NR4A2 (0.68) PARP10FFAR1AKR1B1NR4A2NR4A1
SCHEMBL10349749 0.85 PARP10 (0.71) PARP10FFAR1AKR1B1MEN1KMT2A
SCHEMBL9582195 0.84 PARP10 (0.71) PARP10FFAR1AKR1B1MEN1KMT2A
SCHEMBL5609808 0.84 NPC1 (0.64) PARP10FFAR1AKR1B1MEN1KMT2A
SCHEMBL25034484 0.82 FFAR1 (0.76) PARP10FFAR1AKR1B1MEN1KMT2A
SCHEMBL30874126 0.82 FFAR1 (0.76) PARP10FFAR1AKR1B1MEN1KMT2A
SCHEMBL2516394 0.82 PARP10 (0.68) PARP10FFAR1AKR1B1MEN1KMT2A

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 11 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
US-5212182-A Substituted quinolinyl- and naphthalenylbenzamides or benzylamines and related compounds useful as analgesics AMERICAN HOME PRODUCTS CORPOORATION (US) 1993-05-18 US 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 PARP10 2200/4885FFAR1 3147/4885AKR1B1 748/4885
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM9 PARP10 2307/4885FFAR1 2590/4885AKR1B1 433/4885
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 PARP10 2200/4885FFAR1 3147/4885AKR1B1 748/4885

“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.