SCHEMBL5110232

SCHEMBL5110232

COC(=O)c1ccc(Br)c(CSc2nc3ccccc3n2C(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.68
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
DRD2 P14416 2/20 0.44
TBXA2R P21731 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GNRHR P30968 1/20 0.43
ACSS2 Q9NR19 1/20 0.42
TP53 P04637 1/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL5107277 0.90 PTGDR2 (0.68) PTGDR2CYP3A4CYP2C9GNRHR
SCHEMBL5112314 0.89 PTGDR2 (0.53) PTGDR2CYP3A4CYP2C9DRD2TBXA2R
SCHEMBL5112254 0.85 PTGDR2 (0.66) PTGDR2DRD2TBXA2RMEN1KMT2A
SCHEMBL5110335 0.84 PTGDR2 (0.68) PTGDR2DRD2TBXA2RMEN1KMT2A
SCHEMBL5109873 0.84 PTGDR2 (0.68) PTGDR2DRD2TBXA2RMEN1KMT2A
SCHEMBL5140007 0.83 PTGDR2 (0.67) PTGDR2DRD2TBXA2RMEN1KMT2A
SCHEMBL5123043 0.81 PTGDR2 (0.67) PTGDR2CYP3A4CYP2C9MEN1KMT2A
SCHEMBL5118653 0.81 PTGDR2 (0.52) PTGDR2DRD2TBXA2RMEN1KMT2A
SCHEMBL5121458 0.81 PTGDR2 (1.00) PTGDR2CYP3A4CYP2C9
SCHEMBL5107158 0.80 PTGDR2 (0.63) PTGDR2CYP3A4CYP2C9GNRHRMAPT

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 12/4885CYP3A4 4625/4885CYP2C9 4323/4885

“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.