SCHEMBL2853918

SCHEMBL2853918

COC(=O)c1cccc(/C=C/C#N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 6/20 0.57
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
ENPP2 Q13822 1/20 0.49
RAB9A P51151 3/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL2853921 1.00 P4HB (0.57) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11222093 0.85 P4HB (0.68) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4407110 0.85 P4HB (0.68) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8662067 0.84 CYP4F2 (0.47) ENPP2RAB9AMAPTNPC1LMNA
SCHEMBL8662065 0.84 CYP4F2 (0.47) ENPP2RAB9AMAPTNPC1LMNA
SCHEMBL13926058 0.82 P4HB (0.64) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18098004 0.81 P4HB (0.68) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24411012 0.81 P4HB (0.62) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9041272 0.81 ALDH1A1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21412420 0.81 TTR (0.58) P4HBENPP2

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
US-11530186-B2 Inhibitors for the β-catenin / T-cell factor protein-protein interaction H. Lee Moffitt Cancer Center and Research Center Institute, Inc. (US) 2022-12-20 US disclosed
US-20210017139-A1 INHIBITORS FOR THE B-CATENIN / T-CELL FACTOR PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2021-01-21 US disclosed
WO-2019191410-A1 INHIBITORS FOR THE Β-CATENIN / T-CELL FACTOR PROTEIN–PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-10-03 WO disclosed
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 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 (3 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-20210017139-A1 INHIBITORS FOR THE B-CATENIN / T-CELL FACTOR PROTEIN-PROTEIN INTERACTION CTNNBL1, CTNNB1, APC P4HB 3511/4885GRIN2D 4792/4885GRIN3B 4279/4885
US-11530186-B2 Inhibitors for the β-catenin / T-cell factor protein-protein interaction CTNNB1, CTNNBL1, APC P4HB 3668/4885GRIN2D 4777/4885GRIN3B 4290/4885
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 P4HB 3421/4885GRIN2D 4567/4885GRIN3B 3993/4885

“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.