SCHEMBL1751983

SCHEMBL1751983

CC1=CC[C@H](C(=O)O)[C@H](C(=O)O)C1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 7/20 0.61
TDP1 Q9NUW8 4/20 0.61
CASP6 P55212 2/20 0.61
CTDSP1 Q9GZU7 2/20 0.61
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GRK2 P25098 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
GAA P10253 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL1751984 1.00 POLB (0.61) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL1751002 1.00 POLB (0.61) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL1751001 1.00 POLB (0.61) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL60089 1.00 POLB (0.61) POLBTDP1CASP6CTDSP1ALDH1A1
Lithium SCHEMBL30537011 0.98 POLB (0.59) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL28672104 0.98 POLB (0.59) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL28666781 0.98 POLB (0.59) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL22753310 0.90 POLB (0.56) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL18668125 0.90 POLB (0.56) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL16065957 0.90 POLB (0.53) POLBTDP1CASP6CTDSP1ALDH1A1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968748-B2 Process for resolving racemic mixtures and a diastereoisomeric complex of a resolving agent and an enantiomer of interest ABIOGEN PHARMA S.P.A. (IT) 2011-06-28 US disclosed
US-7968748-B2 Process for resolving racemic mixtures and a diastereoisomeric complex of a resolving agent and an enantiomer of interest ABIOGEN PHARMA S.P.A. (IT) 2011-06-28 US disclosed
US-7968748-B2 Process for resolving racemic mixtures and a diastereoisomeric complex of a resolving agent and an enantiomer of interest ABIOGEN PHARMA S.P.A. (IT) 2011-06-28 US disclosed
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 US disclosed
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 US disclosed
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2009-11-26 US disclosed
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2009-11-26 US disclosed
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2009-11-26 US disclosed
US-20090111737-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2009-04-30 US disclosed
US-7456203-B2 Muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
US-20070134729-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-06-14 US disclosed
US-20070134729-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-06-14 US disclosed
US-7217738-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-15 US disclosed
US-7217738-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-15 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
US-7179794-B2 Multivalent macrolide antibiotics THERAVANCE, INC. (US) 2007-02-20 US disclosed
US-7179794-B2 Multivalent macrolide antibiotics THERAVANCE, INC. (US) 2007-02-20 US disclosed
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 US disclosed
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 US 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 (4 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-20070134729-A1 Novel antibacterial agents ENGASE, PGLS, PEPD POLB 1148/4885TDP1 2092/4885CASP6 2287/4885
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST SRR, EPHX2, ALOX5 POLB 1541/4885TDP1 3710/4885CASP6 2636/4885
US-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 POLB 3712/4885TDP1 4050/4885CASP6 4876/4885
US-20090111737-A1 Novel antibacterial agents ENGASE, PGLS, PEPD POLB 1148/4885TDP1 2092/4885CASP6 2287/4885

“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.