SCHEMBL10165320

SCHEMBL10165320

CC(C)(C)OC(=O)c1ccc(CO)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 11/20 0.44
GABRB3 P28472 11/20 0.44
GABRA1 P14867 10/20 0.44
GABRA2 P47869 10/20 0.44
GABRA5 P31644 10/20 0.44
GABRA3 P34903 9/20 0.44
GABRA6 Q16445 8/20 0.44
GABRA4 P48169 5/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRE P78334 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44
P4HTM Q9NXG6 2/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL18172756 0.86 GABRG2 (0.43) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL23361737 0.86 GABRG2 (0.43) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL31037762 0.82 P4HTM (0.63) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL8324962 0.81 MAPK1 (0.61) P4HTMMAPK1KDM4EMEN1ALDH1A1
SCHEMBL19556246 0.80 NR1H2 (0.42) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL30554608 0.80 KDM4E (0.40) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL30112027 0.80 NR1H2 (0.42) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL19555927 0.80 KDM4E (0.40) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL20719769 0.80 KDM4E (0.40) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL16675788 0.80 GABRA1 (0.48) GABRG2GABRB3GABRA1GABRA2GABRA5

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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 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-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 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 (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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 GABRG2 2500/4885GABRB3 626/4885GABRA1 2275/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 GABRG2 2500/4885GABRB3 626/4885GABRA1 2275/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GABRG2 2500/4885GABRB3 626/4885GABRA1 2275/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GABRG2 2500/4885GABRB3 626/4885GABRA1 2275/4885

“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.