SCHEMBL5113350

SCHEMBL5113350

CC(C)(C)C(C(=O)O)n1c(SCCOc2cccc3ccccc23)nc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.64
PDPK1 O15530 4/20 0.50
KMT2A Q03164 5/20 0.48
POLB P06746 2/20 0.47
MEN1 O00255 4/20 0.46
MAPT P10636 4/20 0.46
PIN1 Q13526 1/20 0.46
ATM Q13315 1/20 0.46
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
THRB P10828 1/20 0.44
PABPC1 P11940 1/20 0.44

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
SCHEMBL5112725 0.86 PTGDR2 (0.60) PTGDR2KMT2APOLBMEN1ATM
SCHEMBL5115400 0.84 PTGDR2 (0.63) PTGDR2KMT2APOLBMEN1ATM
SCHEMBL5122051 0.81 PTGDR2 (0.61) PTGDR2KMT2APOLBMEN1ATM
SCHEMBL5119990 0.80 PTGDR2 (0.44) PTGDR2KMT2APOLBMEN1MAPT
SCHEMBL5113912 0.78 PTGDR2 (1.00) PTGDR2PDPK1KMT2APOLBMEN1
SCHEMBL5120625 0.77 PTGDR2 (0.47) PTGDR2KMT2APOLBMEN1ATM
SCHEMBL5120798 0.77 PTGDR2 (0.59) PTGDR2KMT2APOLBMEN1MAPT
SCHEMBL5107158 0.77 PTGDR2 (0.63) PTGDR2POLBMAPTL3MBTL1ALDH1A1
SCHEMBL5114251 0.76 PTGDR2 (0.49) PTGDR2KMT2APOLBMEN1ATM
SCHEMBL5106695 0.75 MEN1 (0.43) PTGDR2KMT2AMEN1MAPTGAA

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 2 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

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 PTGDR2 12/4885PDPK1 1619/4885KMT2A 3454/4885

“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.