SCHEMBL1828213

SCHEMBL1828213

CCOc1ccc(CCC[C@@H](C(=O)N2CCC(N(C)C(C)=O)CC2)[C@@H]2OC(C)(C)OC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.40
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 2/20 0.36
ACACB O00763 1/20 0.35
VNN1 O95497 2/20 0.34
CYP2D6 P10635 1/20 0.34
CCR5 P51681 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
OPRM1 P35372 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL1823887 0.90 MCHR1 (0.38) MCHR1MAPTPOLBMAPK1ACACB
SCHEMBL1828390 0.87 ALDH1A1 (0.41) MAPTPOLBMAPK1ACACBALDH1A1
SCHEMBL2252368 0.85 MEN1 (0.37) MCHR1MAPTMAPK1ACACBALDH1A1
SCHEMBL2244382 0.84 ADAMTS5 (0.41) MAPTMAPK1ACACBALDH1A1ADORA3
SCHEMBL2241918 0.84 LIPE (0.40) MCHR1MAPTACACB
SCHEMBL2247202 0.83 ALDH1A1 (0.43) MAPTPOLBMAPK1ACACBALDH1A1
SCHEMBL2253918 0.83 MAPT (0.46) MAPTMAPK1ALDH1A1TP53ADORA3
SCHEMBL2244670 0.82 ADORA3 (0.43) MAPTCYP2D6ALDH1A1ADORA3HTR2A
SCHEMBL2247318 0.82 MAPT (0.47) MAPTALDH1A1TP53
SCHEMBL2247475 0.82 LMNA (0.42) MAPTMAPK1ACACBTP53

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
EP-1660471-B1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS VERNALIS R&D LTD (GB) 2011-05-04 EP disclosed
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors LABORATOIRES SERONO S.A. (CH) 2010-11-04 US disclosed
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors LABORATOIRES SERONO S.A. (CH) 2010-11-04 US disclosed
US-7786121-B2 Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS (OXFORD) LIMITED (GB) 2010-08-31 US disclosed
US-7786121-B2 Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS (OXFORD) LIMITED (GB) 2010-08-31 US disclosed
US-20060281920-A1 Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS (OXFORD) LIMITED (GB) 2006-12-14 US disclosed
EP-1660471-A1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS Vernalis (Oxford) Ltd (GB) 2006-05-31 EP disclosed
WO-2005019194-A1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LIMITED (GB) 2005-03-03 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 (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-20060281920-A1 Derivatives of hydroxamic acid as metalloproteinase inhibitors MMP13, MMP3, MMP1 MCHR1 3548/4885MAPT 4843/4885POLB 2657/4885
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors MMP3, MMP1, MMP13 MCHR1 3908/4885MAPT 4094/4885POLB 857/4885

“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.