SCHEMBL5115870

SCHEMBL5115870

CCCCC(=O)N(CCCSc1nc2ccccc2n1C(C(=O)O)C(C)(C)C)c1ccccc1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.42
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 4/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AR P10275 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PSMD14 O00487 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL5113375 0.91 KMT2A (0.40) PTGDR2KMT2AMEN1TSHRRAB9A
SCHEMBL5122099 0.91 PTGDR2 (0.40) PTGDR2KMT2AMEN1TSHRRAB9A
SCHEMBL5115798 0.89 PTGDR2 (0.40) PTGDR2KMT2AMEN1TSHRRAB9A
SCHEMBL5108542 0.89 PTGDR2 (0.40) PTGDR2KMT2AMEN1TSHRRAB9A
SCHEMBL5115868 0.88 PTGDR2 (0.42) PTGDR2KMT2AMEN1TSHRRAB9A
SCHEMBL5121561 0.86 PTGDR2 (0.46) PTGDR2KMT2AMEN1TSHRRAB9A
SCHEMBL5113939 0.84 PTGDR2 (0.37) PTGDR2TSHRMAPTNPSR1GAA
SCHEMBL5106685 0.83 PTGDR2 (0.62) PTGDR2KMT2AMEN1POLB
SCHEMBL5119923 0.82 PTGDR2 (0.46) PTGDR2KMT2AMEN1L3MBTL1
SCHEMBL5113371 0.81 KMT2A (0.40) PTGDR2KMT2AMEN1TSHRRAB9A

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 12/4885KMT2A 3454/4885MEN1 4731/4885

“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.