SCHEMBL4835879

SCHEMBL4835879

COC(=O)c1cccc(CN(C)C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.60
CYP4F2 P78329 2/20 0.59
CYP4A11 Q02928 2/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SLC7A5 Q01650 1/20 0.56
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
RAB9A P51151 2/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NR3C1 P04150 1/20 0.53
HIF1A Q16665 1/20 0.50
NPC1 O15118 1/20 0.50
SENP1 Q9P0U3 1/20 0.49
LMNA P02545 1/20 0.49
FOLH1 Q04609 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL16706893 0.86 LOXL2 (0.62) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL165622 0.86 LOXL2 (0.66) LOXL2CYP4F2CYP4A11MEN1KMT2A
SCHEMBL13229122 0.85 KMT2A (0.80) LOXL2CYP4F2CYP4A11MEN1KMT2A
SCHEMBL4836068 0.84 MEN1 (0.63) MEN1KMT2ARAB9ANPC1FOLH1
SCHEMBL1830055 0.82 LOXL2 (0.54) LOXL2CYP4F2CYP4A11MEN1KMT2A
SCHEMBL10106423 0.81 LOXL2 (0.64) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL17882189 0.81 RIPK1 (0.64) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL3124357 0.80 LOXL2 (0.55) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL7087183 0.79 MEN1 (0.54) MEN1KMT2ARAB9ANPC1
SCHEMBL29592260 0.79 LOXL2 (0.70) LOXL2CYP4F2CYP4A11MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255109-A1 Non-peptide GnRH antagonists VANTIA, LTD 2008-10-16 US disclosed
US-7365065-B2 Non-peptide GnRH antagonists FERRING B.V. (NL) 2008-04-29 US disclosed
US-20050222139-A1 Non-peptide gnrh antagonists FERRING B.V. (NL) 2005-10-06 US disclosed
EP-1485356-A1 NON-PEPTIDE GnRH ANTAGONISTS Ferring BV (NL) 2004-12-15 EP disclosed
WO-2003078398-A1 NON-PEPTIDE GnRH ANTAGONISTS FERRING BV (NL) 2003-09-25 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-20050222139-A1 Non-peptide gnrh antagonists GNRHR, BRS3, FSHR LOXL2 4042/4885CYP4F2 487/4885CYP4A11 241/4885
US-20080255109-A1 Non-peptide GnRH antagonists GNRHR, BRS3, FSHR LOXL2 3789/4885CYP4F2 486/4885CYP4A11 244/4885

“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.