SCHEMBL5113938

SCHEMBL5113938

CCOC(=O)c1ccc(N(CCCSc2nc3ccccc3n2C(C(=O)O)C(C)(C)C)C(=O)C(c2ccccc2)C2CCCCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALOX15 P16050 1/20 0.37
NLRP3 Q96P20 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 2/20 0.35
OPRM1 P35372 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

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
SCHEMBL5113939 0.89 PTGDR2 (0.37) PTGDR2MAPTALDH1A1NPSR1CYP3A4
SCHEMBL5115797 0.89 PTGDR2 (0.40) PTGDR2MAPTALDH1A1NPSR1ALOX15
SCHEMBL5111076 0.87 PTGDR2 (0.53) PTGDR2HTT
SCHEMBL5108539 0.86 PTGDR2 (0.40) PTGDR2MAPTALDH1A1NPSR1ALOX15
SCHEMBL5115868 0.84 PTGDR2 (0.42) PTGDR2MAPTNPSR1TP53TSHR
SCHEMBL5122096 0.84 PTGDR2 (0.40) PTGDR2MAPTALDH1A1NPSR1ALOX15
SCHEMBL5113371 0.83 KMT2A (0.40) PTGDR2MAPTALDH1A1NPSR1TP53
SCHEMBL5119129 0.81 PTGDR2 (0.38) PTGDR2MAPTNPSR1CYP3A4OPRM1
SCHEMBL5115406 0.79 PTGDR2 (0.40) PTGDR2MAPTNPSR1TP53LMNA
SCHEMBL5115798 0.78 PTGDR2 (0.40) PTGDR2MAPTNPSR1LMNATSHR

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 12/4885MAPT 4293/4885ALDH1A1 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.