SCHEMBL6288439

SCHEMBL6288439

CC(C)(C)OC(=O)C(C)([O])c1c[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
NR4A2 P43354 2/20 0.44
CREBBP Q92793 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
PBRM1 Q86U86 1/20 0.44
GPR84 Q9NQS5 1/20 0.42
POLB P06746 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41

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
SCHEMBL6286136 0.87 NR4A2 (0.53) KMT2AMEN1MAPTNR4A2CREBBP
SCHEMBL6284340 0.83 PKM (0.53) KMT2AMEN1MAPTNR4A2CREBBP
SCHEMBL6288556 0.81 PBRM1 (0.49) KMT2AMEN1MAPTNR4A2CREBBP
SCHEMBL25866775 0.76 NR4A2 (0.54) KMT2AMEN1MAPTNR4A2CREBBP
SCHEMBL29336785 0.74 MEN1 (0.49) KMT2AMEN1MAPTNR4A2CREBBP
SCHEMBL6684094 0.74 NR4A2 (0.69) KMT2AMEN1MAPTNR4A2CREBBP
SCHEMBL8131871 0.73 NR4A2 (0.51) KMT2AMEN1MAPTNR4A2CREBBP
SCHEMBL25139960 0.73 PBRM1 (0.54) KMT2AMEN1MAPTNR4A2CREBBP
SCHEMBL17866727 0.73 PBRM1 (0.54) KMT2AMEN1MAPTNR4A2CREBBP
SCHEMBL17866728 0.73 PBRM1 (0.50) KMT2AMEN1MAPTNR4A2CREBBP

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 KMT2A 629/4885MEN1 2361/4885MAPT 4800/4885

“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.