SCHEMBL20824847

SCHEMBL20824847

CCCCCC(CCCCC)C(=O)NC#N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.44
CA1 P00915 4/20 0.44
HDAC8 Q9BY41 5/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BIRC2 Q13490 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
GPR84 Q9NQS5 2/20 0.38

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
SCHEMBL9762519 0.78 HDAC7 (0.47) CA2CA1HDAC8HDAC6HDAC7
SCHEMBL1897128 0.77 TSHR (0.50) CA2CA1HDAC8HDAC6HDAC7
SCHEMBL8257353 0.74 CA2 (0.53) CA2CA1MAPK1
SCHEMBL19910585 0.74 CA2 (0.70) CA2CA1HDAC8HDAC6HDAC7
SCHEMBL19135674 0.74 MMP3 (0.55) CA2CA1HDAC8HDAC6HDAC3
SCHEMBL24932772 0.74 CA2 (0.70) CA2CA1HDAC8HDAC6HDAC7
SCHEMBL2483893 0.74 MMP3 (0.55) CA2CA1HDAC8HDAC6HDAC3
SCHEMBL20987781 0.74 MMP3 (0.55) CA2CA1HDAC8HDAC6HDAC3
SCHEMBL21664527 0.74 MMP3 (0.55) CA2CA1HDAC8HDAC6HDAC3
SCHEMBL7750482 0.74 CA2 (0.70) CA2CA1HDAC8HDAC6HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11130779-B2 PPAR agonists and methods of use thereof THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-09-28 US disclosed
US-20200216490-A1 PPAR AGONISTS AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-07-09 US disclosed
US-10450277-B2 Analogs of fexaramine and methods of making and using THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2019-10-22 US disclosed
US-20190084939-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2019-03-21 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 (4 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-10450277-B2 Analogs of fexaramine and methods of making and using FXR2, FXR1, SLC10A2 CA2 1970/4885CA1 1715/4885HDAC8 2694/4885
US-20190084939-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 CA2 1970/4885CA1 1715/4885HDAC8 2694/4885
US-20200216490-A1 PPAR AGONISTS AND METHODS OF USE THEREOF PPARD, PPARG, PPARA CA2 4874/4885CA1 4879/4885HDAC8 1913/4885
US-11130779-B2 PPAR agonists and methods of use thereof PPARD, PPARG, PPARA CA2 4874/4885CA1 4879/4885HDAC8 1913/4885

“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.