SCHEMBL1043201

SCHEMBL1043201

Cc1ccc(S(=O)(=O)OCC2CCc3ccc(F)cc3O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
CYP2D6 P10635 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
FFAR1 O14842 3/20 0.40
MAOB P27338 3/20 0.36

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
SCHEMBL8863992 0.91 CA2 (0.47) CA2CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL1018563 0.87 CA2 (0.48) CA2CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL4295393 0.83 CA2 (0.50) CA2CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL1136635 0.83 CA2 (0.50) CA2CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL1136638 0.83 CA2 (0.50) CA2CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL6348557 0.83 CA2 (0.68) CA2CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL4970970 0.83 CA2 (0.68) CA2CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL13230301 0.83 CA2 (0.51) CA2CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL7346088 0.83 CA2 (0.68) CA2CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL9370374 0.82 MAOB (0.39) CA2CYP2D6ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US disclosed
EP-2271635-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
WO-2009133109-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 CA2 3728/4885CYP2D6 697/4885ALDH1A1 1056/4885

“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.