SCHEMBL5113939

SCHEMBL5113939

CCOC(=O)c1ccccc1N(CCCSc1nc2ccccc2n1C(C(=O)O)C(C)(C)C)C(=O)C(c1ccccc1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.37
OPRM1 P35372 4/20 0.35
CYP3A4 P08684 2/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
OPRK1 P41145 3/20 0.34
OGFRL1 Q5TC84 3/20 0.34
OPRD1 P41143 2/20 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
SCHEMBL5113938 0.89 PTGDR2 (0.37) PTGDR2OPRM1CYP3A4CHRM2HTR1A
SCHEMBL5115798 0.89 PTGDR2 (0.40) PTGDR2LMNATSHRHTTMAPT
SCHEMBL5111077 0.87 PTGDR2 (0.53) PTGDR2HTT
SCHEMBL5115870 0.84 PTGDR2 (0.42) PTGDR2LMNATSHRHTTMAPT
SCHEMBL5122099 0.84 PTGDR2 (0.40) PTGDR2LMNATSHRHTTGAA
SCHEMBL5108542 0.83 PTGDR2 (0.40) PTGDR2LMNATSHRHTTGAA
SCHEMBL5113375 0.83 KMT2A (0.40) PTGDR2TSHRMAPTNPSR1GAA
SCHEMBL5119129 0.82 PTGDR2 (0.38) PTGDR2OPRM1CYP3A4CHRM2HTR1A
SCHEMBL5115797 0.78 PTGDR2 (0.40) PTGDR2TSHRHTTMAPTALDH1A1
SCHEMBL5122430 0.77 TSHR (0.50) PTGDR2CYP3A4ADRA1ALMNACYP1A2

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 12/4885OPRM1 1768/4885CYP3A4 4625/4885

“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.