SCHEMBL1200519

SCHEMBL1200519

CC(C)C(S)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSB P07858 1/20 0.48
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
SLC15A1 P46059 1/20 0.47
LMNA P02545 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
ELANE P08246 1/20 0.46
ATM Q13315 1/20 0.46
CTRB1 P17538 2/20 0.45
HSD17B10 Q99714 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
SCHEMBL17540919 0.85 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL19105358 0.81 CTSB (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL17403976 0.81 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL18469707 0.81 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13040993 0.81 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL162538 0.81 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL12640200 0.81 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL112859 0.81 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL939536 0.81 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL12746764 0.81 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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 72/4885TDP1 1954/4885MAPK1 4494/4885
US-20110034462-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 ALDH1A1 72/4885TDP1 1954/4885MAPK1 4494/4885

“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.