SCHEMBL2172960

SCHEMBL2172960

O=C(OCc1ccccc1)C1CC(N2CCCC2)CCC1C(=O)N1CCC(c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 4/20 0.44
ADAM10 O14672 4/20 0.44
MMP2 P08253 3/20 0.44
ERBB2 P04626 3/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
HRH3 Q9Y5N1 5/20 0.43
LMNA P02545 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
ADAM17 P78536 1/20 0.43
PDE4B Q07343 1/20 0.42
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL8301513 0.87 ALDH1A1 (0.53) ALDH1A1POLBRAB9AADAM10MMP2
SCHEMBL2175584 0.87 ALDH1A1 (0.53) ALDH1A1POLBRAB9AADAM10MMP2
SCHEMBL8301522 0.87 ALDH1A1 (0.53) ALDH1A1POLBRAB9AADAM10MMP2
SCHEMBL6027447 0.85 SIGMAR1 (0.53) SIGMAR1ALDH1A1POLBRAB9AADAM10
SCHEMBL2175091 0.83 ADAM10 (0.64) ALDH1A1POLBRAB9AADAM10MMP2
SCHEMBL2174178 0.83 ALDH1A1 (0.48) ALDH1A1POLBRAB9AADAM10MMP2
SCHEMBL12282072 0.82 ALDH1A1 (0.49) ALDH1A1POLBRAB9AADAM10MMP2
SCHEMBL2176416 0.82 ALDH1A1 (0.49) ALDH1A1POLBRAB9AADAM10MMP2
SCHEMBL2172947 0.81 ADAM10 (0.60) SIGMAR1RAB9AADAM10MMP2ERBB2
SCHEMBL2174013 0.81 ADAM10 (0.60) SIGMAR1RAB9AADAM10MMP2ERBB2

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
US-9440958-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2016-09-13 US disclosed
US-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2015-01-22 US disclosed
US-8853243-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2014-10-07 US disclosed
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION 2011-09-15 US disclosed
US-7973041-B2 Antiarthritic agents; psoriasis; anticancer agents;antiallergens; metalloprotease inhibitors. INCYTE CORPORATION (US) 2011-07-05 US disclosed
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP disclosed
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 US disclosed
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases LNCYTE CORPORATION (US) 2008-07-10 US disclosed
EP-1678167-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES Incyte Corporation (US) 2006-07-12 EP disclosed
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 US disclosed
WO-2005037826-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2005-04-28 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 (4 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-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP14, MMP9 SIGMAR1 3327/4885ALDH1A1 673/4885POLB 1594/4885
US-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP2, MMP14 SIGMAR1 3105/4885ALDH1A1 497/4885POLB 1479/4885
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases MMP25, MMP9, MMP24 SIGMAR1 3239/4885ALDH1A1 415/4885POLB 2157/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 SIGMAR1 3105/4885ALDH1A1 497/4885POLB 1479/4885

“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.