SCHEMBL2585317

SCHEMBL2585317

C=CC(O)C(CC(=O)O)(C(=O)O)C(O)C=C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.38
CPT2 P23786 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
HIF1A Q16665 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
BLM P54132 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.33
NFKB1 P19838 1/20 0.33
KMT2A Q03164 1/20 0.33
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL11111132 0.77 ACLY (0.40) ACLYCPT2ALDH1A1CYP2D6TSHR
SCHEMBL5820739 0.77 ALDH1A1 (0.34) ACLYCPT2ALDH1A1CYP2D6TSHR
SCHEMBL1049551 0.70 CYP2C19 (0.44) ACLYCPT2ALDH1A1CYP2D6TSHR
SCHEMBL1643768 0.67 CYP2C19 (0.46) ACLYCPT2ALDH1A1CYP2D6TSHR
SCHEMBL11798809 0.64 CYP2C19 (0.42) ACLYCPT2ALDH1A1CYP2D6TSHR
SCHEMBL28527107 0.63 ACLY (0.53) ACLYCPT2ALDH1A1CYP2D6TSHR
SCHEMBL11466997 0.63 MEN1 (0.34) ALDH1A1CYP2D6TSHRCYP2C19SLC6A2
Succinic Acid SCHEMBL7712865 0.62 LMNA (0.41) ACLYCPT2ALDH1A1CYP2D6TSHR
SCHEMBL12458905 0.62 ACLY (0.39) ACLYCPT2ALDH1A1CYP2D6TSHR
SCHEMBL1020093 0.62 ALDH1A1 (0.42) ACLYCPT2ALDH1A1CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563760-A2 BIS-(HYDROXYALKYL)MERCAPTOSUCCINATES WYSIS Technology Foundation, Inc. (US) 2013-03-06 EP claimed
WO-2011139887-A2 BIS-(HYDROXYALKYL)MERCAPTOSUCCINATES WYSIS TECHNOLOGY FOUNDATION, INC. (US) 2011-11-10 WO claimed
US-20110269903-A1 BIS-(HYDROXYALKYL)MERCAPTOSUCCINATES WYSIS TECHNOLOGY FOUNDATION, INC. (US) 2011-11-03 US claimed
EP-3336076-A1 BIS-(HYDROXYALKYL)MERCAPTOSUCCINATES WiSys Technology Foundation, Inc. (US) 2018-06-20 EP 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 (1 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-20110269903-A1 BIS-(HYDROXYALKYL)MERCAPTOSUCCINATES QSOX1, MTX1, MSRB3 ACLY 2761/4885CPT2 3232/4885ALDH1A1 37/4885

“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.