SCHEMBL5115406

SCHEMBL5115406

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.40
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL5115797 0.90 PTGDR2 (0.40) PTGDR2MAPTNPSR1TP53L3MBTL1
SCHEMBL5122394 0.87 PTGDR2 (0.46) PTGDR2LMNAMAPTNPSR1MEN1
SCHEMBL5107864 0.86 NPSR1 (0.43) PTGDR2LMNAMAPTNPSR1MEN1
SCHEMBL5121874 0.86 PTGDR2 (0.41) PTGDR2LMNAMAPTNPSR1MEN1
SCHEMBL5121197 0.86 PTGDR2 (0.40) PTGDR2LMNAMAPTNPSR1MEN1
SCHEMBL5114644 0.85 PTGDR2 (0.38) PTGDR2LMNAMAPTNPSR1MEN1
SCHEMBL5106845 0.85 PTGDR2 (0.41) PTGDR2LMNAMAPTNPSR1MEN1
SCHEMBL5121561 0.85 PTGDR2 (0.46) PTGDR2MEN1KMT2ATP53L3MBTL1
SCHEMBL5115798 0.85 PTGDR2 (0.40) PTGDR2LMNAMAPTNPSR1MEN1
SCHEMBL5510465 0.84 PTGDR2 (0.44) PTGDR2LMNAMAPTNPSR1MEN1

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 12/4885LMNA 4724/4885MAPT 4293/4885

“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.