SCHEMBL3208378

SCHEMBL3208378

Cc1ccc(S(=O)(=O)OCC2CN(C)c3cccc(Br)c3O2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
PTGIR P43119 1/20 0.36
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
CYP1A2 P05177 1/20 0.33
GRM2 Q14416 1/20 0.33
LMNA P02545 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL7920376 0.88 HTR1A (0.41) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL3220729 0.85 ALDH1A1 (0.42) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL3202703 0.85 ALDH1A1 (0.42) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL3203234 0.85 ALDH1A1 (0.42) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL730472 0.83 PTGIR (0.46) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL3207601 0.83 ALDH1A1 (0.40) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL13487000 0.81 ALDH1A1 (0.42) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL13487006 0.81 ALDH1A1 (0.42) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL13487008 0.81 ALDH1A1 (0.42) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL4224280 0.80 ALDH1A1 (0.41) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R CYP2D6 554/4885ALDH1A1 1164/4885CYP3A4 298/4885

“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.