SCHEMBL10160044

SCHEMBL10160044

CC(C)[C@@H](C)C(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
PKM P14618 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42

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
SCHEMBL12448183 1.00 SMN1; SMN2 (0.50) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL8487300 0.85 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL8487298 0.85 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL738198 0.82 SMN1; SMN2 (0.54) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL824919 0.81 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL5486914 0.81 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL8488469 0.81 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL828715 0.81 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL13912231 0.80 SMN1; SMN2 (0.58) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL2115037 0.80 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-07-03 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (5 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 SMN1; SMN2 4594/4885PKM 4508/4885CYP3A4 708/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 SMN1; SMN2 4594/4885PKM 4508/4885CYP3A4 708/4885
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 SMN1; SMN2 4594/4885PKM 4508/4885CYP3A4 708/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 SMN1; SMN2 4594/4885PKM 4508/4885CYP3A4 708/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 SMN1; SMN2 4594/4885PKM 4508/4885CYP3A4 708/4885

“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.