SCHEMBL1406030

SCHEMBL1406030

Cc1c(Sc2ccc(Cl)cc2)c2cc(Cl)ccc2n1CC(=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
CYP2C9 P11712 2/20 0.86
AKR1B1 P15121 10/20 0.83
SLC6A4 P31645 1/20 0.61

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
SCHEMBL1406050 0.93 PTGDR2 (1.00) PTGDR2CYP2C9AKR1B1
SCHEMBL1406107 0.91 PTGDR2 (0.83) PTGDR2CYP2C9AKR1B1SLC6A4
SCHEMBL3006606 0.91 PTGDR2 (1.00) PTGDR2CYP2C9AKR1B1
SCHEMBL1406139 0.91 PTGDR2 (0.83) PTGDR2CYP2C9AKR1B1SLC6A4
SCHEMBL1406083 0.90 PTGDR2 (1.00) PTGDR2CYP2C9AKR1B1SLC6A4
SCHEMBL1406058 0.89 PTGDR2 (1.00) PTGDR2CYP2C9AKR1B1SLC6A4
SCHEMBL1406046 0.88 PTGDR2 (0.78) PTGDR2CYP2C9AKR1B1SLC6A4
SCHEMBL1406032 0.88 PTGDR2 (1.00) PTGDR2CYP2C9AKR1B1
SCHEMBL15016509 0.88 PTGDR2 (0.78) PTGDR2CYP2C9AKR1B1SLC6A4
SCHEMBL1251016 0.87 PTGDR2 (1.00) PTGDR2CYP2C9AKR1B1SLC6A4

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 18 patents. 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
EP-1513812-B1 SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2011-03-09 EP disclosed
US-20100197756-A1 Indole-3-Sulphur Derivatives ASTRAZENECA AB (SE) 2010-08-05 US disclosed
US-7723373-B2 Indole-3-sulphur derivatives ASTRAZENECA AB (SE) 2010-05-25 US disclosed
EP-1551802-B1 INDOLE-3-SULPHUR DERIVATIVES ASTRAZENECA AB (SE) 2009-12-02 EP disclosed
CN-100404505-C Novel substituted indoles ASTRAZENECA AB (SE) 2008-07-23 CN disclosed
US-7166607-B2 Substituted indoles ASTRAZENECA AB (SE) 2007-01-23 US disclosed
US-20060111426-A1 Indole-3-sulphur derivaties ASTRAZENECA AB (SE) 2006-05-25 US 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-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 (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-20050165055-A1 Novel substituted indoles IDO1, IDO2, TPH1 PTGDR2 426/4885CYP2C9 346/4885AKR1B1 302/4885
US-20100197756-A1 Indole-3-Sulphur Derivatives IDO1, IDO2, INMT PTGDR2 525/4885CYP2C9 2054/4885AKR1B1 1827/4885
US-20060111426-A1 Indole-3-sulphur derivaties IDO1, IDO2, INMT PTGDR2 674/4885CYP2C9 547/4885AKR1B1 860/4885

“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.