SCHEMBL3910143

SCHEMBL3910143

COc1cccc(S(=O)(=O)c2cccc3nc(N4CCNCC4)oc23)c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.72
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
ADRB1 P08588 1/20 0.44
FEN1 P39748 1/20 0.42

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
SCHEMBL3912683 0.85 HTR6 (0.77) HTR6
SCHEMBL3911949 0.85 HTR6 (0.71) HTR6CYP1A2CYP3A4ADRB1
SCHEMBL3919708 0.85 HTR6 (0.71) HTR6TP53CYP1A2CYP3A4CYP2D6
SCHEMBL3911606 0.84 HTR6 (1.00) HTR6
SCHEMBL3915879 0.82 HTR6 (0.72) HTR6FEN1
SCHEMBL3909572 0.80 HTR6 (0.70) HTR6
SCHEMBL3918674 0.80 HTR6 (0.71) HTR6
SCHEMBL3909167 0.78 HTR6 (1.00) HTR6
Hydrochloric Acid SCHEMBL4079949 0.77 HTR6 (0.98) HTR6
SCHEMBL4082403 0.76 HTR6 (0.71) HTR6TP53CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501421-B2 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-03-10 US claimed
EP-2024348-A2 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES AS 5-HYDROXYTRYTAMINE-6 LIGANDS Wyeth (US) 2009-02-18 EP claimed
WO-2007142904-A2 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES AS 5-HYDROXYTRYTAMINE-6 LIGANDS WYETH (US) 2007-12-13 WO claimed
US-20070281945-A1 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-12-06 US claimed
US-7501421-B2 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-03-10 US disclosed
EP-2024348-A2 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES AS 5-HYDROXYTRYTAMINE-6 LIGANDS Wyeth (US) 2009-02-18 EP disclosed
WO-2007142904-A2 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES AS 5-HYDROXYTRYTAMINE-6 LIGANDS WYETH (US) 2007-12-13 WO disclosed
US-20070281945-A1 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-12-06 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-20070281945-A1 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C HTR6 1/4885TP53 4884/4885CYP1A2 433/4885

“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.