SCHEMBL8205546

SCHEMBL8205546

CCOC(=O)c1nc2sc3c(c2c(=O)[nH]1)CCCSC3

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.78
KDM4E B2RXH2 6/20 0.78
HPGD P15428 4/20 0.78
GAA P10253 3/20 0.78
TSHR P16473 2/20 0.78
HSD17B10 Q99714 1/20 0.78
CYP1A2 P05177 2/20 0.56
POLB P06746 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
ATM Q13315 1/20 0.48
HIF1A Q16665 2/20 0.47
PSMD14 O00487 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL8197697 0.88 HPGD (0.95) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL3916185 0.88 KDM4E (1.00) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL8204067 0.86 KDM4E (0.98) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL8191450 0.86 KDM4E (0.98) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL8198822 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL8191449 0.82 HPGD (0.70) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL13154913 0.81 KDM4E (0.79) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL8198185 0.79 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL8205477 0.78 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL7200545 0.78 KDM4E (0.71) ALDH1A1KDM4EHPGDGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
WO-2008063667-A1 HETEROTRICYCLIC 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 (3 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-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 ALDH1A1 1908/4885KDM4E 1443/4885HPGD 303/4885
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 ALDH1A1 1908/4885KDM4E 1443/4885HPGD 303/4885
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 ALDH1A1 1908/4885KDM4E 1443/4885HPGD 303/4885

“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.