SCHEMBL5115348

SCHEMBL5115348

CC(C)(C)OC(=O)N(CCCCl)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
REN P00797 1/20 0.32
DPP4 P27487 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CCR5 P51681 1/20 0.31
HSD11B1 P28845 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
PIN1 Q13526 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL4914499 0.85 CA14 (0.37) CA14HDAC1HDAC2HDAC6REN
SCHEMBL4711748 0.84 CA14 (0.39) CA14HDAC1HDAC2HDAC6REN
SCHEMBL1700621 0.84 DPP4 (0.34) CA14HDAC1HDAC2HDAC6REN
SCHEMBL4905655 0.84 L3MBTL1 (0.33) CA14HDAC1HDAC2HDAC6REN
SCHEMBL12827200 0.84 L3MBTL1 (0.33) CA14HDAC1HDAC2HDAC6REN
SCHEMBL2082167 0.83 CA14 (0.35) CA14HDAC1HDAC2HDAC6DPP4
SCHEMBL15285331 0.81 CA14 (0.36) CA14HDAC1HDAC2HDAC6REN
SCHEMBL4717930 0.81 HDAC6 (0.33) CA14HDAC1HDAC2HDAC6DPP4
SCHEMBL7303736 0.81 HDAC1 (0.38) CA14HDAC1HDAC2HDAC6L3MBTL1
SCHEMBL6497271 0.81 CA14 (0.36) CA14HDAC1HDAC2HDAC6DPP4

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
US-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US disclosed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US disclosed
EP-1784182-A1 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-05-16 EP disclosed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 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 (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-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists HRH2, HRH1, HRH3 CA14 4514/4885HDAC1 1734/4885HDAC2 593/4885

“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.