SCHEMBL6286136

SCHEMBL6286136

COC(=O)C(C)([O])c1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.53
CREBBP Q92793 1/20 0.53
ALOX5 P09917 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.45
PBRM1 Q86U86 1/20 0.45
CFTR P13569 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GPR84 Q9NQS5 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
PDE1C Q14123 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL6288439 0.87 KMT2A (0.48) NR4A2CREBBPALOX5SLC22A6PBRM1
SCHEMBL25866775 0.86 NR4A2 (0.54) NR4A2CREBBPALOX5SLC22A6PBRM1
SCHEMBL6284340 0.84 PKM (0.53) NR4A2CREBBPSLC22A6SMN1; SMN2ALDH1A1
SCHEMBL8131871 0.84 NR4A2 (0.51) NR4A2CREBBPALOX5SLC22A6PBRM1
SCHEMBL6288556 0.83 PBRM1 (0.49) NR4A2CREBBPSLC22A6PBRM1CFTR
SCHEMBL25139960 0.74 PBRM1 (0.54) NR4A2CREBBPSLC22A6PBRM1CFTR
SCHEMBL17866727 0.74 PBRM1 (0.54) NR4A2CREBBPSLC22A6PBRM1CFTR
SCHEMBL17866728 0.74 PBRM1 (0.50) NR4A2CREBBPSLC22A6PBRM1CFTR
SCHEMBL27751083 0.74 ALOX5 (0.53) NR4A2CREBBPALOX5SLC22A6PBRM1
SCHEMBL14212015 0.74 GPR84 (0.52) NR4A2CREBBPSMN1; SMN2ALDH1A1GPR84

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 NR4A2 1528/4885CREBBP 2015/4885ALOX5 4681/4885

“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.