SCHEMBL22600366

SCHEMBL22600366

C=CC(=O)Nc1cccc(NC(C)(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.59
ACKR3 P25106 1/20 0.48
EGFR P00533 3/20 0.48
LPAR1 Q92633 1/20 0.47
LPAR2 Q9HBW0 1/20 0.47
BTK Q06187 1/20 0.47
ITK Q08881 2/20 0.46
MAP2K7 O14733 2/20 0.45
JAK3 P52333 1/20 0.45
AURKA O14965 1/20 0.45
F13A1 P00488 1/20 0.45
LMNA P02545 1/20 0.45
TGM1 P22735 1/20 0.45
TGM3 Q08188 1/20 0.45
GSTO1 P78417 1/20 0.45
SRC P12931 1/20 0.44

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
SCHEMBL4103284 0.86 TGM2 (0.76) TGM2EGFRLPAR1LPAR2BTK
SCHEMBL22600367 0.81 TGM2 (0.65) TGM2EGFRLPAR1LPAR2BTK
SCHEMBL6355891 0.81 TGM2 (0.65) TGM2EGFRLPAR1LPAR2
SCHEMBL13154807 0.81 TGM2 (0.59) TGM2EGFRLMNASRC
SCHEMBL30684820 0.81 TGM2 (0.59) TGM2EGFRLMNASRC
SCHEMBL15987129 0.80 TGM2 (0.55) TGM2EGFRBTKITKMAP2K7
SCHEMBL10294089 0.80 RAB9A (0.64)
SCHEMBL31536255 0.78 TGM2 (0.65) TGM2EGFRITKMAP2K7
SCHEMBL1383747 0.78 TGM2 (0.65) TGM2EGFRITKMAP2K7
SCHEMBL22600260 0.78 BTK (0.52) TGM2ACKR3EGFRBTKJAK3

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-20200339596-A1 FUROXAN-BASED COMPOUNDS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS 2020-10-29 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-20200339596-A1 FUROXAN-BASED COMPOUNDS AND USES THEREOF PARK7, HTT, PRDX5 TGM2 2258/4885ACKR3 3109/4885EGFR 4650/4885

“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.