SCHEMBL17944136

SCHEMBL17944136

CC(C)(C)CCNC(=O)CCN1C(=O)CC(C(C)(C)C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 5/20 0.35
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
GAA P10253 3/20 0.33
POLB P06746 3/20 0.32
HSD17B10 Q99714 1/20 0.32
MLYCD O95822 1/20 0.32

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
SCHEMBL19698275 0.93 SMN1; SMN2 (0.40) SIGMAR1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL17944164 0.93 HDAC3 (0.37) SIGMAR1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL19698272 0.91 HDAC3 (0.39) SIGMAR1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL19698269 0.91 SMN1; SMN2 (0.44) SIGMAR1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL19698292 0.90 SMN1; SMN2 (0.46) SIGMAR1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL19698267 0.90 SMN1; SMN2 (0.46) SIGMAR1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL19698419 0.90 SMN1; SMN2 (0.35) SIGMAR1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL16938158 0.88 SMN1; SMN2 (0.37) ALDH1A1HPGDHTTSMN1; SMN2HDAC3
SCHEMBL19703747 0.88 SMN1; SMN2 (0.45) SIGMAR1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL10017830 0.88 KMT2A (0.36) ALDH1A1HPGDHTTSMN1; SMN2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250232-B1 BRANCHED AND LINEAR CHIMERIC COMPOUNDS, POLYNUCLEOTIDES, USES AND METHODS FOR PREPARATION THEREOF DYNAVAX TECH CORP (US) 2020-04-29 EP disclosed
US-10548975-B2 Branched chimeric compounds, and methods of use thereof DYNAVAX TECHNOLOGIES CORPORATION (US) 2020-02-04 US disclosed
US-20190240323-A1 BRANCHED CHIMERIC COMPOUNDS, AND METHODS OF USE THEREOF DYNAVAX TECHNOLOGIES CORPORATION 2019-08-08 US disclosed
US-10350290-B2 Linear chimeric compounds and methods of use thereof DYNAVAX TECHNOLOGIES CORPORATION (US) 2019-07-16 US disclosed
US-9950064-B2 Branched and linear chimeric compounds, polynucleotides, uses and methods for preparation thereof DYNAVAX TECHNOLOGIES CORPORATION (US) 2018-04-24 US disclosed
US-9950064-B2 Branched and linear chimeric compounds, polynucleotides, uses and methods for preparation thereof DYNAVAX TECHNOLOGIES CORPORATION (US) 2018-04-24 US disclosed
US-9938323-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2018-04-10 US disclosed
US-9938323-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2018-04-10 US disclosed
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 US disclosed
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 US disclosed
US-20160213774-A1 BRANCHED AND LINEAR CHIMERIC COMPOUNDS, POLYNUCLEOTIDES, USES AND METHODS FOR PREPARATION THEREOF DYNAVAX TECHNOLOGIES CORPORATION 2016-07-28 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 (5 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-20160213774-A1 BRANCHED AND LINEAR CHIMERIC COMPOUNDS, POLYNUCLEOTIDES, USES AND METHODS FOR PREPARATION THEREOF PAICS, PBK, PHAX SIGMAR1 3011/4885ALDH1A1 4448/4885HPGD 4362/4885
US-10350290-B2 Linear chimeric compounds and methods of use thereof PAICS, HAVCR2, DCLRE1B SIGMAR1 2306/4885ALDH1A1 4311/4885HPGD 4469/4885
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT SIGMAR1 2243/4885ALDH1A1 3212/4885HPGD 3861/4885
US-20190240323-A1 BRANCHED CHIMERIC COMPOUNDS, AND METHODS OF USE THEREOF PAICS, PBK, HAVCR2 SIGMAR1 2577/4885ALDH1A1 3972/4885HPGD 4360/4885
US-10548975-B2 Branched chimeric compounds, and methods of use thereof PAICS, PBK, HAVCR2 SIGMAR1 2577/4885ALDH1A1 3972/4885HPGD 4360/4885

“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.