SCHEMBL4893160

SCHEMBL4893160

Cc1c(Sc2ccc(S(C)(=O)=O)cc2)c2c(-c3ccccc3)nccc2n1CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.57
AKR1B1 P15121 8/20 0.56
CYP2C9 P11712 2/20 0.56
SLC6A4 P31645 1/20 0.48

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
SCHEMBL4904257 0.87 PTGDR2 (0.76) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL4902353 0.85 PTGDR2 (0.79) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL13952895 0.81 PTGDR2 (0.69) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1251078 0.79 PTGDR2 (0.66) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL6509710 0.77 PTGDR2 (0.70) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL2546597 0.77 PTGDR2 (0.60) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1252375 0.77 PTGDR2 (0.82) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL6512615 0.76 PTGDR2 (0.85) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1252365 0.76 PTGDR2 (0.77) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1251019 0.74 PTGDR2 (0.68) PTGDR2AKR1B1CYP2C9SLC6A4

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-20080027092-A1 1-Acetic Acid-Indole, -Indazole and -Benzimidazole Derivatives Useful for the Treatment of Respiratory Disorders ASTRAZENECA AB (SE) 2008-01-31 US claimed
JP-2007512299-A 2007-05-17 JP claimed
CN-1906189-A 1-acetic acid-indole, -indazole and-benzimidazole derivatives for the treatment of respiratory diseases ASTRAZENECA AB (SE) 2007-01-31 CN claimed
EP-1699781-A1 1-ACETIC ACID-INDOLE, -INDAZOLE AND -BENZIMIDAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF RESPIRATORY DISORDERS AstraZeneca AB (SE) 2006-09-13 EP claimed
WO-2005054232-A1 1-ACETIC ACID-INDOLE, -INDAZOLE AND-BENZIMIDAZOLE DERIVATIVES USFUL FOR THE TREATMENT OF RESPIRATORY DISORDERS ASTRAZENECA AB (SE) 2005-06-16 WO claimed
US-20080027092-A1 1-Acetic Acid-Indole, -Indazole and -Benzimidazole Derivatives Useful for the Treatment of Respiratory Disorders ASTRAZENECA AB (SE) 2008-01-31 US disclosed
US-20080027092-A1 1-Acetic Acid-Indole, -Indazole and -Benzimidazole Derivatives Useful for the Treatment of Respiratory Disorders ASTRAZENECA AB (SE) 2008-01-31 US disclosed
US-20080027092-A1 1-Acetic Acid-Indole, -Indazole and -Benzimidazole Derivatives Useful for the Treatment of Respiratory Disorders ASTRAZENECA AB (SE) 2008-01-31 US disclosed
CN-1906189-A 1-acetic acid-indole, -indazole and-benzimidazole derivatives for the treatment of respiratory diseases ASTRAZENECA AB (SE) 2007-01-31 CN 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-20080027092-A1 1-Acetic Acid-Indole, -Indazole and -Benzimidazole Derivatives Useful for the Treatment of Respiratory Disorders IDO1, ABAT, ECI1 PTGDR2 736/4885AKR1B1 53/4885CYP2C9 545/4885

“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.