SCHEMBL6288293

SCHEMBL6288293

CC(C)(C)OC(=O)C([O])Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.51
ITGB7 P26010 2/20 0.51
ATM Q13315 1/20 0.49
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ACE P12821 1/20 0.45
AKT1 P31749 1/20 0.44
KLK5 Q9Y337 1/20 0.44
CYP1A2 P05177 1/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 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
SCHEMBL10656495 0.85 ATM (0.51) ITGA4ITGB7ATMMAPTTDP1
SCHEMBL642059 0.85 ATM (0.51) ITGA4ITGB7ATMMAPTTDP1
SCHEMBL9160311 0.84 ITGA4 (0.52) ITGA4ITGB7ATMMAPTTDP1
SCHEMBL13108100 0.83 ITGA4 (0.51) ITGA4ITGB7ATMMAPTTDP1
SCHEMBL1595571 0.83 ITGA4 (0.51) ITGA4ITGB7ATMMAPTTDP1
SCHEMBL4909735 0.83 ITGA4 (0.51) ITGA4ITGB7ATMMAPTTDP1
SCHEMBL21601599 0.83 ITGA4 (0.51) ITGA4ITGB7ATMMAPTTDP1
SCHEMBL487423 0.83 ITGA4 (0.51) ITGA4ITGB7ATMMAPTTDP1
SCHEMBL1595565 0.83 ITGA4 (0.51) ITGA4ITGB7ATMMAPTTDP1
SCHEMBL30759366 0.83 ITGA4 (0.51) ITGA4ITGB7ATMMAPTTDP1

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 ITGA4 4458/4885ITGB7 4247/4885ATM 1709/4885

“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.