SCHEMBL11514765

SCHEMBL11514765

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.45
LMNA P02545 4/20 0.43
SLC15A2 Q16348 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR1 P03372 1/20 0.41
CYP3A4 P08684 1/20 0.41
ESR2 Q92731 1/20 0.41
TSHR P16473 3/20 0.40
HIF1A Q16665 2/20 0.40
EGLN1 Q9GZT9 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
FFAR3 O14843 1/20 0.39
HDAC3 O15379 1/20 0.39

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
SCHEMBL9240889 0.81 NAALAD2 (0.46) NAALAD2LMNASLC15A2ALDH1A1MEN1
SCHEMBL11307948 0.81 TSHR (0.55) NAALAD2LMNASLC15A2ALDH1A1MEN1
SCHEMBL11311863 0.79 NAALAD2 (0.45) NAALAD2LMNASLC15A2ALDH1A1MEN1
SCHEMBL5570309 0.79 NAALAD2 (0.45) NAALAD2LMNASLC15A2ALDH1A1MEN1
Thiobenzoic Acid SCHEMBL7825188 0.78 CA12 (0.52) LMNAALDH1A1CYP1A2KMT2AESR1
Thiobenzoic Acid SCHEMBL7825190 0.78 NR4A2 (0.42) LMNAALDH1A1CYP1A2KMT2AESR1
SCHEMBL1406211 0.76 LMNA (0.46) NAALAD2LMNASLC15A2ALDH1A1MEN1
SCHEMBL11620113 0.76 LMNA (0.46) NAALAD2LMNASLC15A2ALDH1A1MEN1
SCHEMBL27651457 0.76 NAALAD2 (0.46) NAALAD2LMNASLC15A2ALDH1A1MEN1
Acetic Acid SCHEMBL4630329 0.76 NAALAD2 (0.46) NAALAD2LMNASLC15A2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7456203-B2 Muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-10-30 US disclosed
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-10-30 US disclosed
US-7427639-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2008-09-23 US disclosed
US-7427639-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2008-09-23 US disclosed
US-20070196859-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-08-23 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
US-4145516-A INCORPORATING A DIOL CONTAINING A KETONE CARBONYL THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 1979-03-20 US disclosed
US-4142029-A Bis-tetrazoles as chemical blowing agents for foaming thermoplastic resins CIBA-GEIGY CORPORATION (US) 1979-02-27 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-20070196859-A1 Novel antibacterial agents ENGASE, PEPD, PGLS NAALAD2 8/4885LMNA 3455/4885SLC15A2 2421/4885
US-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 NAALAD2 937/4885LMNA 4772/4885SLC15A2 3466/4885
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2B NAALAD2 1922/4885LMNA 617/4885SLC15A2 3564/4885
US-20090111737-A1 Novel antibacterial agents ENGASE, PGLS, PEPD NAALAD2 8/4885LMNA 3115/4885SLC15A2 2406/4885

“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.