SCHEMBL3579030

SCHEMBL3579030

CC(C)(C)N(NC(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1[N+](=O)[O-])[C@@](CCC(=O)O)(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.34
MDM2 Q00987 1/20 0.33
MDM4 O15151 1/20 0.33
TP53 P04637 1/20 0.33
TLR2 O60603 2/20 0.33
CASP3 P42574 1/20 0.32
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTPN1 P18031 1/20 0.31
ABCB1 P08183 1/20 0.31
GRB2 P62993 1/20 0.31
ABL1 P00519 1/20 0.31
KIT P10721 1/20 0.31

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
SCHEMBL3632514 0.82 EPHX2 (0.41) EPHX2KMT2AALDH1A1MDM2MDM4
SCHEMBL3581504 0.79 EPHX2 (0.58) EPHX2KMT2AALDH1A1CASP3HTT
SCHEMBL3571470 0.74 EPHX2 (0.42) EPHX2KMT2AALDH1A1MDM2HTT
SCHEMBL3571474 0.74 EPHX2 (0.42) EPHX2KMT2AALDH1A1MDM2HTT
SCHEMBL3579531 0.72 EPHX2 (0.43) EPHX2KMT2AALDH1A1MDM2MDM4
SCHEMBL3579026 0.72 EPHX2 (0.43) EPHX2KMT2AALDH1A1MDM2MDM4
SCHEMBL6389372 0.68 KMT2A (0.55) EPHX2KMT2AMDM4TP53CASP3
SCHEMBL16030101 0.67 KMT2A (0.56) EPHX2KMT2AMDM4TP53CASP3
SCHEMBL29221411 0.67 KMT2A (0.56) EPHX2KMT2AMDM4TP53CASP3
SCHEMBL16378096 0.67 KMT2A (0.58) EPHX2KMT2AMDM4TP53CASP3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150514-B1 18F-LABELLED FOLATES Merck & Cie (CH) 2018-10-24 EP disclosed
US-9771368-B2 18F-labelled folates Merck & Cie (CH) 2017-09-26 US disclosed
US-20160159802-A1 18F-LABELLED FOLATES Merck & Cie (CH) 2016-06-09 US disclosed
US-9315506-B2 18F-labelled folates Merck & Cie (CH) 2016-04-19 US disclosed
US-20100056533-A1 18F-LABELLED FOLATES MERCK EPROVA AG (CH) 2010-03-04 US disclosed
EP-2150514-A2 18F-LABELLED FOLATES Merck Eprova AG (CH) 2010-02-10 EP disclosed
WO-2008125617-A2 18F-LABELLED FOLATES MERCK EPROVA AG (CH) 2008-10-23 WO 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 (2 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-20100056533-A1 18F-LABELLED FOLATES FOLR1, FOLR2, SLC19A1 EPHX2 2090/4885KMT2A 1304/4885ALDH1A1 1012/4885
US-20160159802-A1 18F-LABELLED FOLATES FOLR1, FOLR2, SLC19A1 EPHX2 2012/4885KMT2A 1210/4885ALDH1A1 942/4885

“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.