SCHEMBL998609

SCHEMBL998609

CC(C)[C@@H](C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.58
ALDH1A1 P00352 6/20 0.56
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC15A1 P46059 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
ELANE P08246 1/20 0.46
ATM Q13315 1/20 0.46
CDC25B P30305 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL2068112 1.00 CTSB (0.58) CTSBALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL998611 1.00 CTSB (0.58) CTSBALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL19105358 0.93 CTSB (0.61) CTSBALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL19105400 0.86 ALDH1A1 (0.56) CTSBALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL8554945 0.85 ALDH1A1 (0.56) CTSBALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL28072734 0.85 ALDH1A1 (0.51) CTSBALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL17085306 0.83 CTSB (0.53) CTSBALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL27591578 0.83 ALDH1A1 (0.50) CTSBALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL16368841 0.83 CTSB (0.53) CTSBALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL27505465 0.83 CTSB (0.53) CTSBALDH1A1TDP1MAPK1L3MBTL1

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-9963454-B2 Compounds and compositions for the treatment of parasitic disease NOVARTIS AG (CH) 2018-05-08 US disclosed
US-9469645-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-10-18 US disclosed
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE NOVARTIS AG (CH) 2016-04-21 US disclosed
EP-2737927-B1 Imidazo[1,2a]pyrazines and compositions comprising them for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-03-30 EP disclosed
EP-2737927-A1 Imidazo[1,2a]pyrazines and compositions comprising them for the treatment of parasitic diseases IRM LLC (BM) 2014-06-04 EP disclosed
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2013-10-24 US disclosed
US-8557801-B2 Compounds and compositions useful for the treatment of parasitic diseases IRM LLC (BM) 2013-10-15 US disclosed
CN-102471341-A Compounds and compositions for the treatment of parasitic diseases IRM LLC 2012-05-23 CN disclosed
EP-2451814-A2 FUSED IMIDAZOLES AND COMPOSITIONS COMPRISING THEM FOR THE TREATMENT OF PARASITIC DISEASES, SUCH AS E.G. MALARIA IRM LLC (BM) 2012-05-16 EP disclosed
US-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-03-10 US disclosed
WO-2011006143-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-01-13 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-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES SQLE, SGMS2, FDPS CTSB 314/4885ALDH1A1 1414/4885TDP1 4599/4885
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE SQLE, SGMS2, SGMS1 CTSB 193/4885ALDH1A1 2013/4885TDP1 4613/4885
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES SQLE, ABCB1, FDPS CTSB 243/4885ALDH1A1 1800/4885TDP1 4659/4885

“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.