SCHEMBL3010082

SCHEMBL3010082

Cc1c([S+]([O-])c2ccc(Cl)cc2)c2cc(C#N)ccc2n1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.46
AKR1B1 P15121 5/20 0.46
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
STAT3 P40763 1/20 0.44
PTGES O14684 1/20 0.41
ALOX5 P09917 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
SCHEMBL1387138 0.86 PTGDR2 (0.61) PTGDR2AKR1B1CYP2C9
SCHEMBL1384482 0.78 PTGDR2 (0.75) PTGDR2AKR1B1CYP2C9ALDH1A1MAPK1
SCHEMBL1406046 0.77 PTGDR2 (0.78) PTGDR2AKR1B1CYP2C9
SCHEMBL1386959 0.74 PTGDR2 (0.54) PTGDR2AKR1B1CYP2C9ALDH1A1MAPK1
SCHEMBL16709583 0.71 PTGDR2 (0.50) PTGDR2AKR1B1CYP2C9ALDH1A1MAPK1
SCHEMBL5310737 0.71 PTGDR2 (0.56) PTGDR2AKR1B1CYP2C9
SCHEMBL317636 0.71 PTGDR2 (0.77) PTGDR2CYP2C9
SCHEMBL2049601 0.67 PTGDR2 (0.58) PTGDR2AKR1B1CYP2C9ALDH1A1MAPK1
SCHEMBL15486120 0.67 TSPO (0.45) PTGDR2AKR1B1ALDH1A1MAPK1STAT3
SCHEMBL5311183 0.66 PTGDR2 (0.49) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551802-B1 INDOLE-3-SULPHUR DERIVATIVES ASTRAZENECA AB (SE) 2009-12-02 EP claimed
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
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 (2 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

“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.