SCHEMBL10164443

SCHEMBL10164443

CC(=O)c1cc(C(=O)OC(C)(C)C)nc2ncnn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
HPGD P15428 1/20 0.37
GABRG2 P18507 6/20 0.36
GABRB3 P28472 6/20 0.36
GABRA5 P31644 5/20 0.36
ALDH1A1 P00352 4/20 0.36
GABRA1 P14867 5/20 0.35
GABRA3 P34903 5/20 0.35
GABRA2 P47869 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRA4 P48169 3/20 0.34
GABRA6 Q16445 3/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRE P78334 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34

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
SCHEMBL8247694 0.89 MAPK1 (0.37) MAPK1HPGDGABRG2GABRB3GABRA5
SCHEMBL8253403 0.88 MAPK1 (0.44) MAPK1HPGDGABRG2GABRB3GABRA5
SCHEMBL10164461 0.86 MAPK1 (0.48) MAPK1HPGDALDH1A1L3MBTL1MEN1
SCHEMBL10164493 0.80 GABRG2 (0.36) HPGDGABRG2GABRB3GABRA5ALDH1A1
SCHEMBL8247048 0.77 MAPK1 (0.50) MAPK1HPGDALDH1A1L3MBTL1MEN1
SCHEMBL8253218 0.74 MAPK1 (0.48) MAPK1HPGDALDH1A1L3MBTL1MEN1
SCHEMBL10165798 0.72 ALDH1A1 (0.51) MAPK1HPGDALDH1A1L3MBTL1MEN1
SCHEMBL8253875 0.71 TRPV1 (0.36)
SCHEMBL4264078 0.70 MAPK1 (0.47) MAPK1HPGDALDH1A1L3MBTL1MEN1
SCHEMBL4255764 0.70 ALDH1A1 (0.56) MAPK1HPGDALDH1A1L3MBTL1MEN1

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 2 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

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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 MAPK1 2860/4885HPGD 313/4885GABRG2 2500/4885

“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.