SCHEMBL2546597

SCHEMBL2546597

Cc1c(Sc2ccc(S(C)(=O)=O)cc2)c2c(-c3ccoc3)cccc2n1CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.60
AKR1B1 P15121 10/20 0.54
CYP2C9 P11712 2/20 0.54
SLC6A4 P31645 1/20 0.41

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
SCHEMBL1252423 0.93 PTGDR2 (0.66) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL5730584 0.91 PTGDR2 (0.51) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL13952895 0.82 PTGDR2 (0.69) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL10315735 0.81 PTGDR2 (0.38) PTGDR2AKR1B1CYP2C9
SCHEMBL1251739 0.81 PTGDR2 (0.59) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1251078 0.81 PTGDR2 (0.66) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1251105 0.80 PTGDR2 (0.56) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1252375 0.80 PTGDR2 (0.82) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1252365 0.79 PTGDR2 (0.77) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1251741 0.77 PTGDR2 (0.54) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178764-A1 Novel Compounds BONNERT ROGER (GB) 2012-07-12 US claimed
US-20110263614-A1 Novel compounds BONNERT ROGER 2011-10-27 US claimed
US-20090163518-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-06-25 US claimed
EP-2025670-A1 3-(Phenyl or quinolyl)thio-1H-indole-1-acetic acid derivatives as modulators of CRTh2 receptor activity AstraZeneca AB (SE) 2009-02-18 EP claimed
US-20080249110-A1 Novel Substituted 3-Sulfur Indoles ASTRAZENECA AB (SE) 2008-10-09 US claimed
EP-1656346-A1 NOVEL SUBSTITUTED 3-SULFUR INDOLES AstraZeneca AB (SE) 2006-05-17 EP claimed
WO-2004106302-A1 NOVEL SUBSTITUTED 3-SULFUR INDOLES ASTRAZENECA AB (SE) 2004-12-09 WO claimed
US-20120178764-A1 Novel Compounds BONNERT ROGER (GB) 2012-07-12 US disclosed
US-20110263614-A1 Novel compounds BONNERT ROGER 2011-10-27 US disclosed
US-20110263614-A1 Novel compounds BONNERT ROGER 2011-10-27 US disclosed
US-20110263614-A1 Novel compounds BONNERT ROGER 2011-10-27 US 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-7687535-B2 Substituted 3-sulfur indoles ASTRAZENECA AB (SE) 2010-03-30 US disclosed
EP-2025670-A1 3-(Phenyl or quinolyl)thio-1H-indole-1-acetic acid derivatives as modulators of CRTh2 receptor activity AstraZeneca AB (SE) 2009-02-18 EP disclosed
EP-2025670-A1 3-(Phenyl or quinolyl)thio-1H-indole-1-acetic acid derivatives as modulators of CRTh2 receptor activity AstraZeneca AB (SE) 2009-02-18 EP disclosed
US-20080249110-A1 Novel Substituted 3-Sulfur Indoles ASTRAZENECA AB (SE) 2008-10-09 US disclosed
US-20080249110-A1 Novel Substituted 3-Sulfur Indoles ASTRAZENECA AB (SE) 2008-10-09 US disclosed
US-20080249110-A1 Novel Substituted 3-Sulfur Indoles ASTRAZENECA AB (SE) 2008-10-09 US disclosed
EP-1656346-A1 NOVEL SUBSTITUTED 3-SULFUR INDOLES AstraZeneca AB (SE) 2006-05-17 EP disclosed
WO-2004106302-A1 NOVEL SUBSTITUTED 3-SULFUR INDOLES ASTRAZENECA AB (SE) 2004-12-09 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-20120178764-A1 Novel Compounds IDO1, IDO2, MTNR1A PTGDR2 227/4885AKR1B1 1072/4885CYP2C9 967/4885
US-20090163518-A1 Novel Compounds IDO1, IDO2, MTNR1A PTGDR2 227/4885AKR1B1 1072/4885CYP2C9 967/4885
US-20080249110-A1 Novel Substituted 3-Sulfur Indoles IDO1, IDO2, AANAT PTGDR2 885/4885AKR1B1 2196/4885CYP2C9 1092/4885
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.