SCHEMBL5118653

SCHEMBL5118653

COC(=O)c1cncc(CSc2nc3ccccc3n2C(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.52
DRD2 P14416 2/20 0.48
TBXA2R P21731 2/20 0.48
TP53 P04637 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 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
SCHEMBL5112254 0.89 PTGDR2 (0.66) PTGDR2DRD2TBXA2RTP53MEN1
SCHEMBL5110335 0.87 PTGDR2 (0.68) PTGDR2DRD2TBXA2RTP53MEN1
SCHEMBL5109873 0.81 PTGDR2 (0.68) PTGDR2DRD2TBXA2RTP53MEN1
SCHEMBL5107277 0.81 PTGDR2 (0.68) PTGDR2
SCHEMBL5110232 0.81 PTGDR2 (0.68) PTGDR2DRD2TBXA2RTP53MEN1
SCHEMBL5112314 0.81 PTGDR2 (0.53) PTGDR2DRD2TBXA2RTP53MEN1
SCHEMBL5122683 0.81 PTGDR2 (0.64) PTGDR2DRD2TBXA2RMAPTSMN1; SMN2
SCHEMBL5115703 0.81 PTGDR2 (0.79) PTGDR2DRD2TBXA2RMAPT
SCHEMBL5119955 0.80 TSHR (0.60) PTGDR2TP53MEN1KMT2AMAPT
SCHEMBL5114373 0.79 PTGDR2 (0.53) PTGDR2DRD2TBXA2RTP53MEN1

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 4 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
EP-1784182-A1 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-05-16 EP disclosed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO 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 12/4885DRD2 1984/4885TBXA2R 20/4885

“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.