SCHEMBL13646367

SCHEMBL13646367

Cc1ccc(S(=O)(=O)OC[C@H]2COc3cc(Cl)ccc3O2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.53
CA1 P00915 1/20 0.53
LMNA P02545 2/20 0.46
FFAR1 O14842 11/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C9 P11712 2/20 0.40
CYP2B6 P20813 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL1117923 1.00 CA2 (0.53) CA2CA1LMNAFFAR1SMN1; SMN2
SCHEMBL6980879 0.95 CA2 (0.53) CA2CA1LMNAFFAR1SMN1; SMN2
SCHEMBL1044755 0.95 CA2 (0.53) CA2CA1LMNAFFAR1SMN1; SMN2
SCHEMBL10832816 0.90 CA2 (0.51) CA2CA1LMNAFFAR1SMN1; SMN2
SCHEMBL8123526 0.88 CA2 (0.49) CA2CA1LMNAFFAR1SMN1; SMN2
SCHEMBL438614 0.88 CA2 (0.49) CA2CA1LMNAFFAR1SMN1; SMN2
SCHEMBL11102654 0.87 LMNA (0.48) CA2LMNAFFAR1SMN1; SMN2CYP2C9
SCHEMBL9369808 0.86 CA2 (0.53) CA2CA1LMNAFFAR1SMN1; SMN2
SCHEMBL6629428 0.86 CA2 (0.53) CA2CA1LMNAFFAR1SMN1; SMN2
SCHEMBL6973466 0.85 CA2 (0.57) CA2LMNAFFAR1SMN1; SMN2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009120192-A2 PROCESS FOR THE PREPARATION OF BENZO-FUSED HETEROARYL DERIVATIVES JASSEN PHARMACEUTICA, N.V. (BE) 2009-10-01 WO disclosed
WO-2009120191-A1 PROCESS FOR THE PREPARATION OF BENZO-FUSED HETEROARYL SULFAMATES AND CRYSTALLINE FORM OF N- ( ( (2S) -6-CHLORO-2,3-DIHYDRO-L,4-BENZODIOXIN-2-YL) METHYL-SULFAMIDE JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-01 WO disclosed
US-20090247618-A1 PROCESS FOR PREPARATION OF BENZO-FUSED HETEROARYL DERIVATIVES JANSSEN PHARMACEUTICA, N.C. (BE) 2009-10-01 US disclosed
US-20090247618-A1 PROCESS FOR PREPARATION OF BENZO-FUSED HETEROARYL DERIVATIVES JANSSEN PHARMACEUTICA, N.C. (BE) 2009-10-01 US disclosed
US-20090247617-A1 PROCESS FOR THE PREPARATION OF BENZO-FUSED HETEROARYL SULFAMATES JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-01 US disclosed
US-20090247617-A1 PROCESS FOR THE PREPARATION OF BENZO-FUSED HETEROARYL SULFAMATES JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-01 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 (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-20090247618-A1 PROCESS FOR PREPARATION OF BENZO-FUSED HETEROARYL DERIVATIVES CYP3A4, CYP3A5, CYP1A2 CA2 3270/4885CA1 2909/4885LMNA 1717/4885
US-20090247617-A1 PROCESS FOR THE PREPARATION OF BENZO-FUSED HETEROARYL SULFAMATES STS, SULT2A1, GABRE CA2 2134/4885CA1 1020/4885LMNA 3469/4885

“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.