SCHEMBL5120952

SCHEMBL5120952

CC(C)(C)C(C(=O)O)n1c(SCCCN(CCc2ccccc2)S(=O)(=O)c2ccccc2)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.44
BACE1 P56817 4/20 0.40
BMP1 P13497 3/20 0.40
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL5109335 0.92 NPSR1 (0.42) PTGDR2BACE1BMP1NPSR1SMN1; SMN2
SCHEMBL5109967 0.90 PTGDR2 (0.44) PTGDR2NPSR1SMN1; SMN2LMNAMAPT
SCHEMBL5113142 0.86 NR1I2 (0.40) PTGDR2BACE1NPSR1SMN1; SMN2LMNA
SCHEMBL5120798 0.85 PTGDR2 (0.59) PTGDR2NPSR1SMN1; SMN2LMNAMAPT
SCHEMBL5112502 0.84 NPSR1 (0.42) PTGDR2NPSR1SMN1; SMN2LMNAMAPT
SCHEMBL5120697 0.84 PTGDR2 (0.38) PTGDR2BACE1NPSR1SMN1; SMN2LMNA
SCHEMBL5114774 0.83 PTGDR2 (0.47) PTGDR2NPSR1SMN1; SMN2LMNAMAPT
SCHEMBL5114024 0.83 PTGDR2 (0.45) PTGDR2NPSR1SMN1; SMN2LMNAMAPT
SCHEMBL5122394 0.82 PTGDR2 (0.46) PTGDR2NPSR1SMN1; SMN2LMNAMAPT
SCHEMBL5107629 0.82 PTGDR2 (0.46) PTGDR2NPSR1SMN1; SMN2LMNAMAPT

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 12/4885BACE1 3635/4885BMP1 3150/4885

“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.