SCHEMBL4903988

SCHEMBL4903988

Cc1c(Sc2ccc(Cl)cc2)c2c(Cl)nccc2n1CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 1.00
AKR1B1 P15121 8/20 0.69
SLC6A4 P31645 1/20 0.66
CYP2C9 P11712 2/20 0.59

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
SCHEMBL6527321 0.93 PTGDR2 (0.87) PTGDR2AKR1B1SLC6A4CYP2C9
SCHEMBL6512615 0.92 PTGDR2 (0.85) PTGDR2AKR1B1SLC6A4CYP2C9
SCHEMBL6512642 0.91 PTGDR2 (0.84) PTGDR2AKR1B1SLC6A4CYP2C9
SCHEMBL6519008 0.91 PTGDR2 (0.84) PTGDR2AKR1B1SLC6A4CYP2C9
SCHEMBL6519941 0.89 PTGDR2 (0.80) PTGDR2AKR1B1SLC6A4CYP2C9
SCHEMBL4902353 0.88 PTGDR2 (0.79) PTGDR2AKR1B1SLC6A4CYP2C9
SCHEMBL6509653 0.88 PTGDR2 (0.79) PTGDR2AKR1B1SLC6A4CYP2C9
SCHEMBL6509675 0.87 PTGDR2 (0.77) PTGDR2AKR1B1SLC6A4CYP2C9
SCHEMBL6510974 0.87 PTGDR2 (0.77) PTGDR2AKR1B1SLC6A4CYP2C9
SCHEMBL6511175 0.86 PTGDR2 (0.76) PTGDR2AKR1B1SLC6A4CYP2C9

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 8 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
WO-2005121141-A1 PYRROLOPYRIDINE DERIVATIVES AND USE THEREOF FOR TREATING DISEASES MEDIATED BY PROSTAGLANDIN D2 (PGD2) OXAGEN LIMITED (GB) 2005-12-22 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
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 disclosed
WO-2005121141-A1 PYRROLOPYRIDINE DERIVATIVES AND USE THEREOF FOR TREATING DISEASES MEDIATED BY PROSTAGLANDIN D2 (PGD2) OXAGEN LIMITED (GB) 2005-12-22 WO disclosed
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 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 53/4885SLC6A4 978/4885

“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.