SCHEMBL1200472

SCHEMBL1200472

O=C(CCSSCCC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
MAPK1 P28482 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
TDP1 Q9NUW8 3/20 0.52
KMT2A Q03164 2/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
LMNA P02545 3/20 0.50
NOTUM Q6P988 1/20 0.50
CDC25B P30305 1/20 0.50
HTT P42858 1/20 0.49
HCAR2 Q8TDS4 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C19 P33261 1/20 0.46
P2RX4 Q99571 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
SCHEMBL1322241 0.89 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL5014522 0.88 CYP2C19 (0.59) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL11614280 0.86 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL1177836 0.86 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL23197318 0.86 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL27346956 0.86 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
Succinic Acid SCHEMBL28290797 0.85 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
Succinic Acid Monobenzyl Ester SCHEMBL827012 0.85 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL10802393 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
Succinic Acid Monobenzyl Ester SCHEMBL5991386 0.83 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1KMT2A

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-7888351-B2 Organic compounds NOVARTIS AG (CH) 2011-02-15 US disclosed
US-20110034462-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2011-02-10 US disclosed
US-20090281069-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-11-12 US disclosed
EP-2007723-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-31 EP disclosed
WO-2007115821-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 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 (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-20090281069-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 ALDH1A1 72/4885MAPK1 4494/4885L3MBTL1 3329/4885
US-20110034462-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 ALDH1A1 72/4885MAPK1 4494/4885L3MBTL1 3329/4885

“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.