SCHEMBL14343552

SCHEMBL14343552

C=CCC(C(=O)OC)N(CC=C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CA12 O43570 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL31716663 0.83 CNR2 (0.32)
SCHEMBL25166305 0.82 MEN1 (0.33) MEN1KMT2A
SCHEMBL19972866 0.81 KMT2A (0.44) MEN1KMT2AMAPTCA12CA14
SCHEMBL19972865 0.81 KMT2A (0.44) MEN1KMT2AMAPTCA12CA14
SCHEMBL19972867 0.81 KMT2A (0.44) MEN1KMT2AMAPTCA12CA14
SCHEMBL6593765 0.80 ITGA4 (0.44) MAPTNPSR1
SCHEMBL7293819 0.80 ITGA4 (0.44) MAPTNPSR1
SCHEMBL6593761 0.80 ITGA4 (0.44) MAPTNPSR1
SCHEMBL20873726 0.79 HDAC6 (0.33) HDAC1HDAC2HDAC6
SCHEMBL25165441 0.79 HDAC6 (0.33) MEN1KMT2AHDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3533797-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-12-20 EP disclosed
EP-3533797-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-09-04 EP disclosed
EP-2540728-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-04-10 EP disclosed
US-20170209452-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-07-27 US disclosed
US-9655900-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-23 US disclosed
US-20160310494-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-10-27 US disclosed
US-9388195-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-12 US disclosed
US-20150158882-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2015-06-11 US disclosed
US-8933069-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
US-8921354-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
US-20140235615-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-21 US disclosed
US-20140228352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
US-8722660-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-20130029969-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-31 US disclosed
EP-2540728-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2013-01-02 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 (6 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-20160310494-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT MEN1 84/4885KMT2A 431/4885MAPT 4528/4885
US-20130029969-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT MEN1 84/4885KMT2A 431/4885MAPT 4528/4885
US-20150158882-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT MEN1 84/4885KMT2A 431/4885MAPT 4528/4885
US-20140228352-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT MEN1 84/4885KMT2A 431/4885MAPT 4528/4885
US-20140235615-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT MEN1 84/4885KMT2A 431/4885MAPT 4528/4885
US-20170209452-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT MEN1 84/4885KMT2A 431/4885MAPT 4528/4885

“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.