SCHEMBL5113890

SCHEMBL5113890

CC(C)(C)OC(=O)NCCCSc1nc2ccccc2n1C(C(=O)O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.47
PTGDR2 Q9Y5Y4 7/20 0.43
BCHE P06276 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5110237 0.94 BRD4 (0.45) BRD4PTGDR2BCHEOPRM1OPRD1
SCHEMBL5112203 0.87 ALDH1A1 (0.47) BRD4PTGDR2NPSR1
SCHEMBL5106804 0.87 PTGDR2 (0.45) BRD4PTGDR2MEN1KMT2A
SCHEMBL5120534 0.86 PTGDR2 (0.47) PTGDR2MEN1GAAKMT2ANPSR1
SCHEMBL5121317 0.86 PTGDR2 (0.44) PTGDR2MEN1KMT2ANPSR1
SCHEMBL5112311 0.85 PTGDR2 (0.46) PTGDR2MEN1GAAKMT2A
SCHEMBL5107194 0.85 PTGDR2 (0.43) PTGDR2MEN1GAAKMT2ANPSR1
SCHEMBL5115635 0.85 PTGDR2 (0.43) PTGDR2NPSR1
SCHEMBL5112186 0.85 PTGDR2 (0.48) BRD4PTGDR2MEN1KMT2A
SCHEMBL5107186 0.84 PTGDR2 (0.43) BRD4PTGDR2MEN1KMT2ANPSR1

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 BRD4 1058/4885PTGDR2 12/4885BCHE 3484/4885

“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.