SCHEMBL5107701

SCHEMBL5107701

O=C(O)Cn1c(SCCCNC(=O)c2cccnc2)nc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 15/20 0.64
▸ NPC1 O15118 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ EPHX2 P34913 1/20 0.50

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
SCHEMBL5119898 0.91 PTGDR2 (0.72) PTGDR2ALDH1A1MEN1KMT2A
SCHEMBL5113667 0.85 PTGDR2 (0.67) PTGDR2ALDH1A1MEN1KMT2A
SCHEMBL5118954 0.84 PTGDR2 (0.66) PTGDR2MEN1KMT2A
SCHEMBL5121151 0.82 PTGDR2 (0.64) PTGDR2ALDH1A1MEN1KMT2A
SCHEMBL5107419 0.80 PTGDR2 (0.66) PTGDR2NPC1SMN1; SMN2KMT2A
SCHEMBL5116055 0.80 PTGDR2 (0.65) PTGDR2MEN1KMT2A
SCHEMBL5109306 0.79 PTGDR2 (0.71) PTGDR2MEN1KMT2A
SCHEMBL5113988 0.79 PTGDR2 (0.70) PTGDR2ALDH1A1MEN1KMT2A
SCHEMBL5121727 0.79 PTGDR2 (0.77) PTGDR2ALDH1A1MEN1KMT2A
SCHEMBL5113418 0.79 PTGDR2 (0.76) PTGDR2ALDH1A1MEN1KMT2A

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 4 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
EP-1784182-A1 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-05-16 — — EP disclosed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 — — WO 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 12/4885NPC1 4454/4885ALDH1A1 470/4885

“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.

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