SCHEMBL7411002

SCHEMBL7411002

COC(=O)c1ccc(NC(=O)[C@@H](N)CC(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.60
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MMP1 P03956 1/20 0.55
MMP3 P08254 1/20 0.55
MMP7 P09237 1/20 0.55
CIT O14578 1/20 0.53
GAA P10253 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
STAT3 P40763 1/20 0.50
RAB9A P51151 1/20 0.50
LARS1 Q9P2J5 1/20 0.50

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
SCHEMBL7408274 0.89 RAB9A (0.66) AAK1MEN1KMT2AGAAALDH1A1
SCHEMBL9811444 0.85 AAK1 (0.63) AAK1MEN1KMT2ACITMAPK1
SCHEMBL9811456 0.85 AAK1 (0.63) AAK1MEN1KMT2ACITMAPK1
SCHEMBL11583393 0.84 AAK1 (0.62) AAK1KMT2ACITALDH1A1HTT
SCHEMBL26347292 0.83 L3MBTL1 (0.59) L3MBTL1MEN1KMT2AGAAALDH1A1
SCHEMBL30503502 0.83 L3MBTL1 (0.59) L3MBTL1MEN1KMT2AGAAALDH1A1
SCHEMBL9490663 0.81 AAK1 (0.67) AAK1CITGAASMN1; SMN2LARS1
SCHEMBL10797393 0.81 AAK1 (0.67) AAK1CITRAB9ALARS1
SCHEMBL11493006 0.81 AAK1 (0.67) AAK1CITGAASMN1; SMN2LARS1
SCHEMBL6518397 0.81 AAK1 (0.67) AAK1CITSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495699-B2 ANTIARTHRITIC AGENTS; OSTEOPOROSIS AGOURON PHARMACEUTICALS INC. 2002-12-17 US disclosed
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use BENDER STEVEN L (US) 2002-02-14 US disclosed
US-6306892-B1 ENZYME INHIBITORS HETEROCYCLIC AMIDES AGOURON PHARMACEUTICALS, INC. 2001-10-23 US disclosed
US-6174915-B1 FOR TREATING MAMMALIAN DISEASE CONDITION MEDIATED BY METALLOPROTEINASE ACTIVITY AGOURON PHARMACEUTICALS, INC. 2001-01-16 US disclosed
US-6008243-A AN ENZYME INHIBITOR FOR PREVENTING THE DEGRADATION AND REMODELING OF CONNECTIVE TISSUES AGOURON PHARMACEUTICALS, INC. (US) 1999-12-28 US disclosed
EP-0937042-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1999-08-25 EP disclosed
WO-1998017643-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1998-04-30 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-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use MMP9, MMP2, MMP3 AAK1 4671/4885L3MBTL1 4598/4885MEN1 1373/4885

“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.