SCHEMBL5113912

SCHEMBL5113912

O=C(O)Cn1c(SCCOc2cccc3ccccc23)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 1.00
PDPK1 O15530 3/20 0.76
ATM Q13315 2/20 0.69
PPARG P37231 1/20 0.69
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
POLB P06746 1/20 0.66
HPGD P15428 1/20 0.65
PABPC1 P11940 1/20 0.63

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
SCHEMBL5504481 0.92 PTGDR2 (0.85) PTGDR2PDPK1ATMPPARGMEN1
SCHEMBL5113947 0.86 PDPK1 (0.77) PTGDR2PDPK1ATMPPARGMEN1
SCHEMBL5110637 0.86 PDPK1 (0.80) PTGDR2PDPK1ATMPPARGMEN1
SCHEMBL5120963 0.86 PDPK1 (1.00) PTGDR2PDPK1ATMPPARGMEN1
SCHEMBL5113955 0.84 PTGDR2 (1.00) PTGDR2PDPK1ATMPPARGMEN1
SCHEMBL5120098 0.82 PTGDR2 (1.00) PTGDR2PDPK1ATMPPARGMEN1
SCHEMBL5120768 0.82 PDPK1 (1.00) PTGDR2PDPK1ATMPPARGMEN1
SCHEMBL5119950 0.80 PTGDR2 (0.85) PTGDR2PDPK1ATMPPARGMEN1
SCHEMBL5107201 0.80 PTGDR2 (1.00) PTGDR2PDPK1ATMPPARGMEN1
SCHEMBL5107362 0.80 MEN1 (0.92) PTGDR2PDPK1ATMPPARGMEN1

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 9 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 claimed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US claimed
US-10463649-B2 Inhibitors of Mc1-1 as drugs to overcome resistance to BRAF inhibitors and MEK inhibitors TEXAS TECH UNIVERSITY SYSTEM (US) 2019-11-05 US disclosed
US-20180161313-A1 Inhibitors of Mcl-1 as Drugs to Overcome Resistance to BRAF Inhibitors and MEK Inhibitors TEXAS TECH UNIVERSITY SYSTEM 2018-06-14 US disclosed
US-20180161313-A1 Inhibitors of Mcl-1 as Drugs to Overcome Resistance to BRAF Inhibitors and MEK Inhibitors TEXAS TECH UNIVERSITY SYSTEM 2018-06-14 US disclosed
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 (3 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-20180161313-A1 Inhibitors of Mcl-1 as Drugs to Overcome Resistance to BRAF Inhibitors and MEK Inhibitors MCL1, BRAF, RAF1 PTGDR2 4429/4885PDPK1 121/4885ATM 640/4885
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists HRH2, HRH1, HRH3 PTGDR2 12/4885PDPK1 1619/4885ATM 4441/4885
US-10463649-B2 Inhibitors of Mc1-1 as drugs to overcome resistance to BRAF inhibitors and MEK inhibitors MCL1, MAPK1, BRAF PTGDR2 3237/4885PDPK1 99/4885ATM 1045/4885

“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.