SCHEMBL1384838

SCHEMBL1384838

Cc1c(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2cc(F)ccc2n1CC(=O)O

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.77
AKR1B1 P15121 3/20 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
SCHEMBL13588621 0.87 PTGDR2 (0.80) PTGDR2AKR1B1
SCHEMBL1788367 0.87 PTGDR2 (1.00) PTGDR2AKR1B1
SCHEMBL27517759 0.85 PTGDR2 (0.58) PTGDR2AKR1B1
SCHEMBL27536416 0.81 PTGDR2 (0.52) PTGDR2AKR1B1
SCHEMBL27536417 0.81 PTGDR2 (0.52) PTGDR2AKR1B1
SCHEMBL1386840 0.80 PTGDR2 (0.81) PTGDR2AKR1B1
Ammonia Solution, Strong SCHEMBL4395485 0.79 PTGDR2 (0.79) PTGDR2AKR1B1
SCHEMBL16558826 0.79 PTGDR2 (0.68) PTGDR2AKR1B1
SCHEMBL1785003 0.79 PTGDR2 (0.56) PTGDR2AKR1B1
SCHEMBL5435403 0.78 PTGDR2 (0.67) PTGDR2AKR1B1

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 20 patents. 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
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
US-7723373-B2 Indole-3-sulphur derivatives ASTRAZENECA AB (SE) 2010-05-25 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 1827/4885
US-20060111426-A1 Indole-3-sulphur derivaties IDO1, IDO2, INMT PTGDR2 674/4885AKR1B1 860/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 PTGDR2 59/4885AKR1B1 3801/4885

“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.