SCHEMBL998563

SCHEMBL998563

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SLC15A1 P46059 1/20 0.49
LMNA P02545 2/20 0.49
HCAR2 Q8TDS4 1/20 0.49
ATM Q13315 1/20 0.48
CTSB P07858 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL939537 1.00 ALDH1A1 (0.60) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL2069896 1.00 ALDH1A1 (0.60) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL4221847 0.98 ALDH1A1 (0.58) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL4221853 0.98 ALDH1A1 (0.58) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL939536 0.92 ALDH1A1 (0.64) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL2928989 0.87 ALDH1A1 (0.63) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL7213716 0.85 ALDH1A1 (0.56) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL112859 0.84 ALDH1A1 (0.64) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL12640200 0.84 ALDH1A1 (0.64) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
Silver SCHEMBL4221849 0.84 ALDH1A1 (0.55) ALDH1A1TDP1KMT2AMAPK1L3MBTL1

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 ALDH1A1 1414/4885TDP1 4599/4885KMT2A 2660/4885
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE SQLE, SGMS2, SGMS1 ALDH1A1 2013/4885TDP1 4613/4885KMT2A 2141/4885
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES SQLE, ABCB1, FDPS ALDH1A1 1800/4885TDP1 4659/4885KMT2A 2181/4885

“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.