SCHEMBL2172040

SCHEMBL2172040

O=C(NO)[C@H]1C([C@@H]2CCOC2)N(C(=O)O)CC[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 14/20 0.52
ERBB2 P04626 10/20 0.52
MMP2 P08253 12/20 0.45
MMP8 P22894 1/20 0.42
MMP12 P39900 1/20 0.42
ADAM17 P78536 1/20 0.42
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SCD5 Q86SK9 1/20 0.38
STAT1 P42224 1/20 0.38

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
SCHEMBL2174418 1.00 ADAM10 (0.52) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2172034 1.00 ADAM10 (0.52) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2174193 0.95 ADAM10 (0.50) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2173777 0.94 ADAM10 (0.45) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2175815 0.94 ADAM10 (0.45) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2173770 0.94 ADAM10 (0.45) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2174489 0.90 ADAM10 (0.46) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2172490 0.83 ADAM10 (0.56) ADAM10ERBB2MMP2MAPT
SCHEMBL2175260 0.83 ADAM10 (0.56) ADAM10ERBB2MMP2MAPT
SCHEMBL2172485 0.83 ADAM10 (0.56) ADAM10ERBB2MMP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION 2011-09-15 US claimed
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 US claimed
US-9440958-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2016-09-13 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
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 US disclosed
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 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 (2 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 ADAM10 25/4885ERBB2 2986/4885MMP2 4/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 ADAM10 26/4885ERBB2 3036/4885MMP2 2/4885

“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.