SCHEMBL1249481

SCHEMBL1249481

Cc1c(Sc2ccc(Cl)cc2)c2c(Br)cccc2n1CC(=O)O

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.79
AKR1B1 P15121 9/20 0.79
CYP2C9 P11712 2/20 0.68
SLC6A4 P31645 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
SCHEMBL13952927 0.88 PTGDR2 (0.83) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1406045 0.88 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1406277 0.86 PTGDR2 (0.79) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1405972 0.86 PTGDR2 (0.79) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1251078 0.86 PTGDR2 (0.66) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1406364 0.84 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1251032 0.83 PTGDR2 (0.78) PTGDR2AKR1B1CYP2C9SLC6A4
Azd1981 SCHEMBL1053662 0.83 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1406266 0.83 PTGDR2 (0.73) PTGDR2AKR1B1CYP2C9SLC6A4
Azd1981 SCHEMBL30538014 0.83 PTGDR2 (1.00) 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513812-B1 SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2011-03-09 EP claimed
CN-100404505-C Novel substituted indoles ASTRAZENECA AB (SE) 2008-07-23 CN claimed
US-7166607-B2 Substituted indoles ASTRAZENECA AB (SE) 2007-01-23 US claimed
CN-1671659-A Novel substituted indoles ASTRAZENECA AB (SE) 2005-09-21 CN claimed
US-20050165055-A1 Novel substituted indoles ASTRAZENECA AB (SE) 2005-07-28 US claimed
EP-1513812-A1 SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-03-16 EP claimed
WO-2003101961-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 WO claimed
US-20120178764-A1 Novel Compounds BONNERT ROGER (GB) 2012-07-12 US disclosed
CN-102391171-A Novel Substituted 3-Sulfur Indoles ASTRAZENECA AB 2012-03-28 CN disclosed
US-20110263614-A1 Novel compounds BONNERT ROGER 2011-10-27 US disclosed
CN-1795174-B Substituted 3-thioindoles ASTRAZENECA AB 2011-09-28 CN disclosed
EP-1513812-B1 SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2011-03-09 EP disclosed
EP-2281815-A1 4-(Acetylamino)-3-[(4-chlorophenyl)thio]-2-methyl-1H-indole-1-acetic acid ethyl ester intermediate compound AstraZeneca AB (SE) 2011-02-09 EP disclosed
US-20060111426-A1 Indole-3-sulphur derivaties ASTRAZENECA AB (SE) 2006-05-25 US disclosed
EP-1656346-A1 NOVEL SUBSTITUTED 3-SULFUR INDOLES AstraZeneca AB (SE) 2006-05-17 EP disclosed
CN-1671659-A Novel substituted indoles ASTRAZENECA AB (SE) 2005-09-21 CN disclosed
US-20050165055-A1 Novel substituted indoles ASTRAZENECA AB (SE) 2005-07-28 US disclosed
EP-1513812-A1 SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-03-16 EP disclosed
WO-2004106302-A1 NOVEL SUBSTITUTED 3-SULFUR INDOLES ASTRAZENECA AB (SE) 2004-12-09 WO disclosed
WO-2003101961-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 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 (4 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-20050165055-A1 Novel substituted indoles IDO1, IDO2, TPH1 PTGDR2 426/4885AKR1B1 302/4885CYP2C9 346/4885
US-20120178764-A1 Novel Compounds IDO1, IDO2, MTNR1A PTGDR2 227/4885AKR1B1 1072/4885CYP2C9 967/4885
US-20060111426-A1 Indole-3-sulphur derivaties IDO1, IDO2, INMT PTGDR2 674/4885AKR1B1 860/4885CYP2C9 547/4885
US-20110263614-A1 Novel compounds IDO1, IDO2, MTNR1A PTGDR2 227/4885AKR1B1 1072/4885CYP2C9 967/4885

“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.