SCHEMBL1387138

SCHEMBL1387138

Cc1ccc2c(c1)c([S+]([O-])c1ccc(Cl)cc1)c(C)n2CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.61
AKR1B1 P15121 8/20 0.61
CYP2C9 P11712 2/20 0.59
PTGS1 P23219 1/20 0.51

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
SCHEMBL3010082 0.86 PTGDR2 (0.46) PTGDR2AKR1B1CYP2C9
SCHEMBL27605874 0.77 PTGDR2 (0.65) PTGDR2AKR1B1CYP2C9PTGS1
SCHEMBL11466061 0.76 PTGDR2 (0.66) PTGDR2AKR1B1CYP2C9PTGS1
SCHEMBL1386979 0.76 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9PTGS1
SCHEMBL5310737 0.75 PTGDR2 (0.56) PTGDR2AKR1B1CYP2C9PTGS1
SCHEMBL1406050 0.74 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9
SCHEMBL19368919 0.73 PTGDR2 (0.63) PTGDR2AKR1B1CYP2C9PTGS1
SCHEMBL6533614 0.71 PTGDR2 (0.71) PTGDR2AKR1B1CYP2C9PTGS1
SCHEMBL1405975 0.70 PTGDR2 (0.78) PTGDR2AKR1B1CYP2C9PTGS1
SCHEMBL1406070 0.70 PTGDR2 (0.74) PTGDR2AKR1B1CYP2C9PTGS1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4791729-B2 2011-10-12 JP claimed
EP-1551802-B1 INDOLE-3-SULPHUR DERIVATIVES ASTRAZENECA AB (SE) 2009-12-02 EP claimed
CN-1279023-C Indole-3-sulphur derivatives ASTRAZENECA AB (SE) 2006-10-11 CN claimed
JP-2005537265-A 2005-12-08 JP claimed
CN-1678579-A Indole-3-sulfur derivatives ASTRAZENECA AB (SE) 2005-10-05 CN 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-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-1279023-C Indole-3-sulphur derivatives ASTRAZENECA AB (SE) 2006-10-11 CN disclosed
US-20060111426-A1 Indole-3-sulphur derivaties ASTRAZENECA AB (SE) 2006-05-25 US disclosed
CN-1678579-A Indole-3-sulfur derivatives ASTRAZENECA AB (SE) 2005-10-05 CN 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 (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-20060111426-A1 Indole-3-sulphur derivaties IDO1, IDO2, INMT PTGDR2 674/4885AKR1B1 860/4885CYP2C9 547/4885

“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.