SCHEMBL8199788

SCHEMBL8199788

CCOC(=O)c1nc2sc(C)c(CC)c2c(=O)[nH]1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.76
ALDH1A1 P00352 6/20 0.76
KDM4E B2RXH2 4/20 0.76
GAA P10253 2/20 0.76
CYP1A2 P05177 2/20 0.76
CYP2C19 P33261 2/20 0.76
POLB P06746 2/20 0.76
CYP2C9 P11712 1/20 0.76
TSHR P16473 3/20 0.59
HSD17B10 Q99714 1/20 0.59
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
ATM Q13315 1/20 0.47
MAPK1 P28482 2/20 0.45
NTSR1 P30989 1/20 0.45

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
SCHEMBL8195423 0.87 HPGD (0.57) HPGDALDH1A1KDM4EGAACYP1A2
SCHEMBL689137 0.86 HPGD (1.00) HPGDALDH1A1KDM4EGAACYP1A2
SCHEMBL8197522 0.86 KDM4E (0.56) HPGDALDH1A1KDM4EGAACYP1A2
SCHEMBL13343391 0.85 HPGD (0.78) HPGDALDH1A1KDM4EGAACYP1A2
SCHEMBL13343536 0.84 ALDH1A1 (0.65) HPGDALDH1A1KDM4EGAACYP1A2
SCHEMBL8196603 0.82 HPGD (0.51) HPGDALDH1A1KDM4EGAACYP1A2
SCHEMBL8188235 0.81 HPGD (0.76) HPGDALDH1A1KDM4EGAACYP1A2
SCHEMBL8203415 0.80 ALDH1A1 (0.66) HPGDALDH1A1KDM4EGAACYP1A2
SCHEMBL11480466 0.80 HPGD (0.66) HPGDALDH1A1KDM4EGAACYP1A2
SCHEMBL4927869 0.80 KDM4E (0.78) HPGDALDH1A1KDM4EGAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 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-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HPGD 587/4885ALDH1A1 1871/4885KDM4E 1572/4885

“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.