SCHEMBL5114770

SCHEMBL5114770

CC(C)(C)C(C(=O)O)n1c(SCCCNC(=O)C(CCc2ccccc2)c2ccccc2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.43
KDM4A O75164 1/20 0.42
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ASAH1 Q13510 3/20 0.38
ALDH1A1 P00352 2/20 0.36
CNR1 P21554 1/20 0.36
MMP8 P22894 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 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
SCHEMBL5122184 0.92 PTGDR2 (0.41) PTGDR2KDM4APOLBGAAASAH1
SCHEMBL5115635 0.87 PTGDR2 (0.43) PTGDR2ALDH1A1CNR1HTT
SCHEMBL5140063 0.85 PTGDR2 (0.46) PTGDR2GAAASAH1ALDH1A1L3MBTL1
SCHEMBL5120798 0.84 PTGDR2 (0.59) PTGDR2POLBALDH1A1L3MBTL1HTT
SCHEMBL5109960 0.84 PTGDR2 (0.42) PTGDR2POLBASAH1ALDH1A1L3MBTL1
SCHEMBL5107194 0.83 PTGDR2 (0.43) PTGDR2POLBGAAALDH1A1L3MBTL1
SCHEMBL5107186 0.83 PTGDR2 (0.43) PTGDR2POLBALDH1A1HTT
SCHEMBL5112077 0.82 TSHR (0.45) PTGDR2GAA
SCHEMBL5112203 0.82 ALDH1A1 (0.47) PTGDR2POLBALDH1A1L3MBTL1HTT
SCHEMBL5109407 0.81 CNR1 (0.42) PTGDR2POLBALDH1A1CNR1HTT

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 12/4885KDM4A 4348/4885POLB 4834/4885

“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.