SCHEMBL2953404

SCHEMBL2953404

CCOC(=O)[C@@H](N)CC(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 6/20 0.39
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
CAD P27708 1/20 0.34
HPGD P15428 2/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
CPB2 Q96IY4 1/20 0.33
TRPA1 O75762 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL27642519 1.00 ALOX15 (0.41) ALOX15ALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL14016339 0.86 ALOX15 (0.48) ALOX15ALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL839402 0.80 SLC7A5 (0.54) ALOX15ALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL133092 0.80 SLC7A5 (0.54) ALOX15ALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL196637 0.80 SLC7A5 (0.54) ALOX15ALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL10686184 0.78 ALOX15 (0.41) ALOX15ALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL8038311 0.78 ALOX15 (0.41) ALOX15ALDH1A1LMNAHSD17B10CYP2D6
Hydrochloric Acid SCHEMBL133091 0.78 SLC7A5 (0.52) ALOX15ALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL7554622 0.78 CYP2C19 (0.45) ALOX15ALDH1A1LMNAHSD17B10CYP2D6
Hydrochloric Acid SCHEMBL10887590 0.78 SLC7A5 (0.52) ALOX15ALDH1A1LMNAHSD17B10CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642799-B2 Cysteine protease inhibitors for the treatment of parasitic diseases MERCK CANADA INC. (CA) 2014-02-04 US disclosed
US-8642799-B2 Cysteine protease inhibitors for the treatment of parasitic diseases MERCK CANADA INC. (CA) 2014-02-04 US disclosed
US-20130244962-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES MERCK FROSST CANADA LTD. (CA) 2013-09-19 US disclosed
US-20130244962-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES MERCK FROSST CANADA LTD. (CA) 2013-09-19 US disclosed
US-20100305056-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE MERCK FROSST CANADA LTD. (CA) 2010-12-02 US disclosed
US-20100305056-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE MERCK FROSST CANADA LTD. (CA) 2010-12-02 US disclosed
US-20100305056-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE MERCK FROSST CANADA LTD. (CA) 2010-12-02 US disclosed
EP-2225196-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES Merck Frosst Canada Ltd. (CA) 2010-09-08 EP disclosed
WO-2009067797-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES MERCK FROSST CANADA LTD. (CA) 2009-06-04 WO disclosed
WO-2009067797-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES MERCK FROSST CANADA LTD. (CA) 2009-06-04 WO disclosed
CN-1842515-A Cathepsin inhibitors MERCK FROSST CANADA INC (CA) 2006-10-04 CN 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 (2 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-20100305056-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE CTSL, SERPINB1, CTSZ ALOX15 853/4885ALDH1A1 1266/4885LMNA 3807/4885
US-20130244962-A1 CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES CTSL, SERPINB1, CTSZ ALOX15 1126/4885ALDH1A1 2383/4885LMNA 3643/4885

“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.