SCHEMBL6288609

SCHEMBL6288609

CC(C)(C)OCC(O)C=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
AKR1B1 P15121 1/20 0.42
CTSK P43235 3/20 0.34
TDP1 Q9NUW8 1/20 0.32
PGD P52209 1/20 0.31
MPI P34949 1/20 0.30
GRN P28799 1/20 0.30
SORT1 Q99523 1/20 0.30
GAPDH P04406 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL17177617 0.76 AKR1B1 (0.44) MAPK1AKR1B1CTSK
SCHEMBL3876725 0.76
SCHEMBL12510665 0.76
SCHEMBL1982314 0.73 MAPK1 (0.65) MAPK1TDP1GRNSORT1
SCHEMBL7604167 0.73
SCHEMBL12038606 0.72 MAPK1 (0.50) MAPK1CTSKTDP1
SCHEMBL5255518 0.72 MAPK1 (0.50) MAPK1CTSKTDP1
SCHEMBL7817679 0.72 MAPK1 (0.45) MAPK1PGDMPI
SCHEMBL35599 0.70
SCHEMBL2087163 0.70

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-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 EP 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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM MAPK1 124/4885AKR1B1 1342/4885CTSK 3674/4885

“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.