SCHEMBL3556759

SCHEMBL3556759

CCOC(=O)Cn1c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c2cc(C)ccc21

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.77
AKR1B1 P15121 5/20 0.77
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CYP2C9 P11712 2/20 0.46
TDP1 Q9NUW8 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
USP14 P54578 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL1386979 0.87 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9
SCHEMBL6509625 0.83 PTGDR2 (0.53) PTGDR2AKR1B1CA12CA1CA2
SCHEMBL1385122 0.80 PTGDR2 (0.87) PTGDR2AKR1B1CYP2C9
SCHEMBL3557583 0.80 PTGDR2 (0.59) PTGDR2AKR1B1CA12CA1CA2
SCHEMBL3017306 0.79 PTGDR2 (0.70) PTGDR2AKR1B1CYP2C9
SCHEMBL6512107 0.78 PTGDR2 (0.50) PTGDR2AKR1B1CA12CA1CA2
SCHEMBL1386591 0.76 PTGDR2 (0.79) PTGDR2AKR1B1CYP2C9KDM4E
SCHEMBL1788367 0.76 PTGDR2 (1.00) PTGDR2AKR1B1
SCHEMBL1385781 0.75 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9
SCHEMBL5474051 0.75 PTGDR2 (0.56) PTGDR2AKR1B1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723373-B2 Indole-3-sulphur derivatives ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-20060111426-A1 Indole-3-sulphur derivaties ASTRAZENECA AB (SE) 2006-05-25 US 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 860/4885CA12 1901/4885

“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.