SCHEMBL8301325

SCHEMBL8301325

CCCCOC(=O)[C@H]1CC(C=O)N(C(=O)OCc2ccccc2)[C@@H]1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR2C P28335 1/20 0.42
CPB1 P15086 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
PRCP P42785 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
NPC1 O15118 2/20 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
SCHEMBL8301426 0.86 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRMAPK1L3MBTL1
SCHEMBL12282046 0.81 HTR2C (0.51) ALDH1A1CYP3A4TSHRHTR2CCPB1
SCHEMBL1664580 0.74 L3MBTL1 (0.54) ALDH1A1CYP3A4TSHRMAPK1L3MBTL1
SCHEMBL13955346 0.72 TSHR (0.47) ALDH1A1CYP3A4TSHRMAPK1L3MBTL1
SCHEMBL17234175 0.72 HTR2C (0.58) ALDH1A1CYP3A4HTR2CCPB1CYP2C9
SCHEMBL29979939 0.72 HTR2C (0.58) ALDH1A1CYP3A4HTR2CCPB1CYP2C9
SCHEMBL13015346 0.72 HTR2C (0.47) ALDH1A1CYP3A4TSHRHTR2CCPB1
SCHEMBL26951972 0.72 L3MBTL1 (0.51) ALDH1A1CYP3A4TSHRMAPK1L3MBTL1
SCHEMBL29587713 0.72 HTR2C (0.59) ALDH1A1CYP3A4TSHRHTR2CCPB1
SCHEMBL31367157 0.72 HTT (0.37) ALDH1A1CYP3A4TSHRMAPK1HTR2C

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 6 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
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
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 (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-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP2, MMP14 ALDH1A1 497/4885CYP3A4 771/4885TSHR 3634/4885

“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.