SCHEMBL13409451

SCHEMBL13409451

COC(=O)/C(=C/c1cc(F)cc(F)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
MIF P14174 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL10064863 0.95 MIF (0.41) MGLLMEN1KMT2ACA12CA1
SCHEMBL12958885 0.93 MEN1 (0.41) MGLLMEN1KMT2ACA12CA1
SCHEMBL27751009 0.89 MEN1 (0.51) MGLLMEN1KMT2ACA12CA1
SCHEMBL3343921 0.89 MGLL (0.44) MGLLMEN1KMT2ACA12CA1
SCHEMBL3343916 0.89 MGLL (0.44) MGLLMEN1KMT2ACA12CA1
SCHEMBL3343926 0.89 MGLL (0.44) MGLLMEN1KMT2ACA12CA1
SCHEMBL13906649 0.87 CA12 (0.47) MEN1KMT2ACA12CA1CA2
SCHEMBL12968216 0.87 PTGES (0.44) MEN1KMT2ANPC1RAB9ACYP3A4
SCHEMBL2970560 0.86 BACE1 (0.41) MEN1KMT2ACA12CA1CA2
SCHEMBL2970563 0.86 BACE1 (0.41) MEN1KMT2ACA12CA1CA2

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-20100099898-A1 Processes and Intermediates For Preparing Benzyle Epoxides ELAN PHARMACEUTICALS, INC. 2010-04-22 US disclosed
US-7638646-B2 Processes and intermediates for preparing benzyl epoxides ELAN PHARMACEUTICALS INC. (US) 2009-12-29 US disclosed
US-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 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-20100099898-A1 Processes and Intermediates For Preparing Benzyle Epoxides VKORC1, EPOR, POR MGLL 4098/4885MEN1 1621/4885KMT2A 4391/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 MGLL 2173/4885MEN1 2126/4885KMT2A 1229/4885

“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.