SCHEMBL8197906

SCHEMBL8197906

CCOC(=O)c1sc2nc(C(=O)O)[nH]c(=O)c2c1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
KDM4E B2RXH2 6/20 0.68
GAA P10253 3/20 0.68
HPGD P15428 3/20 0.68
CYP1A2 P05177 1/20 0.68
POLB P06746 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
MAPT P10636 6/20 0.58
RXFP1 Q9HBX9 2/20 0.58
LMNA P02545 2/20 0.58
PPARG P37231 1/20 0.58
NCOA2 Q15596 1/20 0.58
TSHR P16473 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
PIP4K2A P48426 1/20 0.55
HSD17B10 Q99714 3/20 0.54
RAB9A P51151 3/20 0.50

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
SCHEMBL4927869 0.93 KDM4E (0.78) ALDH1A1KDM4EGAAHPGDCYP1A2
SCHEMBL8202761 0.88 KDM4E (0.65) ALDH1A1KDM4EGAAHPGDCYP1A2
SCHEMBL13343465 0.86 ALDH1A1 (0.74) ALDH1A1KDM4EGAAHPGDCYP1A2
SCHEMBL4524089 0.85 MAPT (0.74) ALDH1A1KDM4EGAAHPGDCYP1A2
SCHEMBL8200928 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EGAAHPGDCYP1A2
SCHEMBL13343590 0.82 ALDH1A1 (0.68) ALDH1A1KDM4EGAAHPGDCYP1A2
SCHEMBL689137 0.81 HPGD (1.00) ALDH1A1KDM4EGAAHPGDCYP1A2
SCHEMBL11479996 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EGAAHPGDCYP1A2
SCHEMBL4523689 0.81 KMT2A (0.66) ALDH1A1KDM4EGAAHPGDCYP1A2
SCHEMBL4527926 0.81 TSHR (0.61) ALDH1A1KDM4EGAAHPGDCYP1A2

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 ALDH1A1 1871/4885KDM4E 1572/4885GAA 328/4885

“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.