SCHEMBL3379445

SCHEMBL3379445

CC(=O)Nc1ccc(N(CC(=O)O)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
OPRK1 P41145 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PDK1 Q15118 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL4840386 0.89 SMN1; SMN2 (0.44) HPGDKMT2AMEN1SMN1; SMN2HSD17B10
SCHEMBL10834140 0.89 CYP17A1 (0.45) KMT2AMEN1TDP1KDM4EMAPT
SCHEMBL11573540 0.87 TSHR (0.43) HPGDKMT2AMEN1MAPTCA12
SCHEMBL8781612 0.86 HPGD (0.53) HPGDKMT2AMEN1SMN1; SMN2HSD17B10
SCHEMBL4832836 0.83 ALDH1A1 (0.35) KMT2AMEN1NPSR1GAATDP1
SCHEMBL11648249 0.82 POLB (0.35) MAPTPOLB
SCHEMBL895556 0.81 MLYCD (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL219603 0.81 SMN1; SMN2 (0.49) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5210956 0.81 POLB (0.49) KMT2AMEN1SMN1; SMN2L3MBTL1MAPT
SCHEMBL11643595 0.81 MLYCD (0.37) HPGDKMT2AMEN1SMN1; SMN2LMNA

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-1989186-B1 HYDANTOIN BASED KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-17 EP disclosed
US-7612212-B2 2-[(S)-2-((S)-2,5-dioxo-4-phenyl-imidazolidin-1-yl)-4-methyl-pentanoylamino]-thiazole-4-carboxylic acid methyl ester; mitogen activated protein/extracellular signal regulated kinase kinase inhibitor; anticarcinogenic agent, cognition activator, nervous and autoimmune system disorders HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 EP disclosed
WO-2008101840-A1 COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-28 WO disclosed
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 US disclosed
WO-2007096259-A1 HYDANTOIN BASED KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
US-20070197617-A1 Substituted hydantoins CHEN SHAOQING 2007-08-23 US 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-20070197617-A1 Substituted hydantoins HNMT, HRH3, BRAF HPGD 118/4885KMT2A 179/4885MEN1 444/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC HPGD 1225/4885KMT2A 1913/4885MEN1 1615/4885

“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.