SCHEMBL5863265

SCHEMBL5863265

COc1ccc(S(=O)(=O)Nc2cccc(-c3cc(Nc4ccc(OC(F)(F)F)cc4)ncn3)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 0.69
BCR P11274 14/20 0.69
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.59
GSK3B P49841 1/20 0.55
USP2 O75604 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
AURKA O14965 1/20 0.52
TNNI3K Q59H18 1/20 0.52
CYP19A1 P11511 1/20 0.50

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
SCHEMBL4665846 0.83 BACE1 (0.59) ABL1BCRMAPTUSP2CYP1A2
SCHEMBL4666152 0.83 ABL1 (0.74) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL3397888 0.83 ABL1 (0.74) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL3899953 0.82 ABL1 (1.00) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16127577 0.81 ABL1 (0.77) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL4109389 0.80 EGFR (0.54) ABL1BCRMAPK1USP2CYP1A2
SCHEMBL3905485 0.80 ABL1 (1.00) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL3397763 0.79 ABL1 (0.74) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL4098721 0.79 NPY5R (0.57) ABL1BCRKDM4EMAPTGSK3B
SCHEMBL3400278 0.78 ABL1 (0.80) ABL1BCRKDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125997-B2 Differential tumor cytotoxicity compounds and compositions IRM LLC (BM) 2006-10-24 US disclosed
US-20040132786-A1 Differential tumor cytotoxicity compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2004-07-08 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-20040132786-A1 Differential tumor cytotoxicity compounds and compositions MIF, FOXM1, MYADM ABL1 1482/4885BCR 3068/4885KDM4E 4087/4885

“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.