SCHEMBL5115868

SCHEMBL5115868

CCCCC(=O)N(CCCSc1nc2ccccc2n1C(C(=O)O)C(C)(C)C)c1ccc(C(=O)OCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.42
TP53 P04637 1/20 0.40
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
TSHR P16473 3/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PSMD14 O00487 1/20 0.35

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
SCHEMBL5121561 0.91 PTGDR2 (0.46) PTGDR2TP53KMT2AMEN1TSHR
SCHEMBL5113371 0.91 KMT2A (0.40) PTGDR2TP53KMT2AMEN1TSHR
SCHEMBL5122096 0.91 PTGDR2 (0.40) PTGDR2TP53TSHRRAB9AGAA
SCHEMBL5108539 0.90 PTGDR2 (0.40) PTGDR2TP53TSHRRAB9AGAA
SCHEMBL5115797 0.89 PTGDR2 (0.40) PTGDR2TP53TSHRRAB9AGAA
SCHEMBL5115870 0.88 PTGDR2 (0.42) PTGDR2KMT2AMEN1TSHRRAB9A
SCHEMBL5119923 0.87 PTGDR2 (0.46) PTGDR2TP53KMT2AMEN1L3MBTL1
SCHEMBL5113938 0.84 PTGDR2 (0.37) PTGDR2TP53TSHRGAAMAPT
SCHEMBL5106683 0.83 PTGDR2 (0.62) PTGDR2KMT2AMEN1POLB
SCHEMBL5510465 0.82 PTGDR2 (0.44) PTGDR2TP53KMT2AMEN1POLB

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 3872/4885KMT2A 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.