SCHEMBL3205140

SCHEMBL3205140

Cc1ccc(S(=O)(=O)OCC2COc3cc(F)cc(Br)c3N2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
CNR2 P34972 1/20 0.31
STAT3 P40763 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL3214074 0.88 ALDH1A1 (0.34) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL9701624 0.77 GAA (0.43) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL6414324 0.75 LMNA (0.38) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL4963357 0.75 CYP2D6 (0.39) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL15878904 0.75 CYP2D6 (0.39) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL450129 0.75 CYP2D6 (0.39) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL450130 0.75 CYP2D6 (0.39) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL3214114 0.74 LMNA (0.37) SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6414083 0.73 PRMT5 (0.39) ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL1872709 0.70 CA2 (0.47) ALDH1A1CYP3A4CYP2D6TSHRMAPT

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 ALDH1A1 1164/4885CYP3A4 298/4885CYP2D6 554/4885

“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.