SCHEMBL1406078

SCHEMBL1406078

CCc1cccc(Sc2c(C)n(CC(=O)O)c3ccc(C)cc23)c1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.77
AKR1B1 P15121 9/20 0.77
CYP2C9 P11712 2/20 0.66
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 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
Ammonia Solution, Strong SCHEMBL5356478 0.99 PTGDR2 (0.76) PTGDR2AKR1B1CYP2C9MEN1LMNA
SCHEMBL1405983 0.88 PTGDR2 (0.78) PTGDR2AKR1B1CYP2C9MEN1LMNA
SCHEMBL1406093 0.86 PTGDR2 (0.79) PTGDR2AKR1B1CYP2C9MEN1LMNA
SCHEMBL1406103 0.86 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9
SCHEMBL1406212 0.84 PTGDR2 (0.78) PTGDR2AKR1B1CYP2C9MEN1LMNA
SCHEMBL5356486 0.82 PTGDR2 (0.52) PTGDR2AKR1B1CYP2C9MEN1LMNA
SCHEMBL3009395 0.80 PTGDR2 (0.76) PTGDR2AKR1B1CYP2C9
SCHEMBL1406050 0.80 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9
SCHEMBL1406116 0.80 PTGDR2 (0.79) PTGDR2AKR1B1CYP2C9
SCHEMBL1406199 0.80 PTGDR2 (0.80) PTGDR2AKR1B1CYP2C9MEN1LMNA

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 12 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-B1 SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2011-03-09 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
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 (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-20050165055-A1 Novel substituted indoles IDO1, IDO2, TPH1 PTGDR2 426/4885AKR1B1 302/4885CYP2C9 346/4885

“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.