SCHEMBL5114817

SCHEMBL5114817

CC(C)(C)C(C(=O)O)n1c(SCCCNC(=O)C2CC2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.43
TP53 P04637 2/20 0.41
GNRHR P30968 3/20 0.40
TSHR P16473 1/20 0.39
MAPT P10636 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
SCHEMBL5110465 0.96 TP53 (0.45) TP53MAPT
SCHEMBL5112203 0.87 ALDH1A1 (0.47) PTGDR2MAPT
SCHEMBL5113002 0.86 TSHR (0.41) PTGDR2TSHRMAPT
SCHEMBL5106804 0.86 PTGDR2 (0.45) PTGDR2TP53MAPT
SCHEMBL5112077 0.85 TSHR (0.45) PTGDR2TP53TSHR
SCHEMBL5114637 0.85 PTGDR2 (0.40) PTGDR2TSHRMAPT
SCHEMBL5120534 0.85 PTGDR2 (0.47) PTGDR2TSHR
SCHEMBL5121317 0.85 PTGDR2 (0.44) PTGDR2TSHR
SCHEMBL5112311 0.84 PTGDR2 (0.46) PTGDR2TSHR
SCHEMBL5113890 0.84 BRD4 (0.47) PTGDR2

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 12/4885TP53 3872/4885GNRHR 1834/4885

“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.