SCHEMBL1386426

SCHEMBL1386426

Cc1ccc2c(c1)c(S(=O)(=O)c1c(Cl)cccc1Cl)c(C)n2CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 1.00
AKR1B1 P15121 6/20 0.72
CYP2C9 P11712 3/20 0.52
PTGS1 P23219 2/20 0.47
SLC6A4 P31645 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL1384259 0.89 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9PTGS1
SCHEMBL1385781 0.85 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9PTGS1SLC6A4
SCHEMBL1386979 0.84 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9PTGS1
SCHEMBL1386079 0.81 PTGDR2 (0.80) PTGDR2AKR1B1CYP2C9PTGS1SLC6A4
SCHEMBL1386348 0.80 PTGDR2 (0.77) PTGDR2AKR1B1CYP2C9
SCHEMBL1385689 0.79 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9PTGS1SLC6A4
SCHEMBL27990435 0.78 PTGDR2 (0.74) PTGDR2AKR1B1CYP2C9
SCHEMBL1406116 0.78 PTGDR2 (0.79) PTGDR2AKR1B1CYP2C9
SCHEMBL27517131 0.78 PTGDR2 (0.63) PTGDR2AKR1B1CYP2C9PTGS1
SCHEMBL1386591 0.77 PTGDR2 (0.79) PTGDR2AKR1B1CYP2C9

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4791729-B2 2011-10-12 JP claimed
US-20100197756-A1 Indole-3-Sulphur Derivatives ASTRAZENECA AB (SE) 2010-08-05 US claimed
US-7723373-B2 Indole-3-sulphur derivatives ASTRAZENECA AB (SE) 2010-05-25 US claimed
EP-1551802-B1 INDOLE-3-SULPHUR DERIVATIVES ASTRAZENECA AB (SE) 2009-12-02 EP claimed
US-20060111426-A1 Indole-3-sulphur derivaties ASTRAZENECA AB (SE) 2006-05-25 US claimed
JP-2005537265-A 2005-12-08 JP claimed
EP-1551802-A1 INDOLE-3-SULPHUR DERIVATIVES AstraZeneca AB (SE) 2005-07-13 EP claimed
WO-2004007451-A1 INDOLE-3-SULPHUR DERIVATIVES ASTRAZENECA AB (SE) 2004-01-22 WO claimed
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis ATOPIX THERAPEUTICS LTD (GB) 2014-11-06 US disclosed
EP-2790696-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS Atopix Therapeutics Limited (GB) 2014-10-22 EP disclosed
WO-2013088109-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS OXAGEN LIMITED (GB) 2013-06-20 WO disclosed
US-20100197756-A1 Indole-3-Sulphur Derivatives ASTRAZENECA AB (SE) 2010-08-05 US disclosed
US-20100197756-A1 Indole-3-Sulphur Derivatives ASTRAZENECA AB (SE) 2010-08-05 US 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
EP-1551802-B1 INDOLE-3-SULPHUR DERIVATIVES ASTRAZENECA AB (SE) 2009-12-02 EP disclosed
US-20060111426-A1 Indole-3-sulphur derivaties ASTRAZENECA AB (SE) 2006-05-25 US disclosed
EP-1551802-A1 INDOLE-3-SULPHUR DERIVATIVES AstraZeneca AB (SE) 2005-07-13 EP disclosed
WO-2004007451-A1 INDOLE-3-SULPHUR DERIVATIVES ASTRAZENECA AB (SE) 2004-01-22 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-20100197756-A1 Indole-3-Sulphur Derivatives IDO1, IDO2, INMT PTGDR2 525/4885AKR1B1 1827/4885CYP2C9 2054/4885
US-20060111426-A1 Indole-3-sulphur derivaties IDO1, IDO2, INMT PTGDR2 674/4885AKR1B1 860/4885CYP2C9 547/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 PTGDR2 59/4885AKR1B1 3801/4885CYP2C9 2737/4885

“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.