SCHEMBL15546375

SCHEMBL15546375

C[C@@]1(c2ccccc2)[C@H](c2ccc(-c3nccc(C(F)(F)F)n3)cc2)[C@@]1(F)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.58
SLC6A7 Q99884 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SYK P43405 7/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
IDH1 O75874 2/20 0.35
IGF1R P08069 1/20 0.35
IDH2 P48735 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL15768991 0.80 HDAC4 (0.68) HDAC4SLC6A7SYKTAS2R14IGF1R
SCHEMBL12499633 0.80 HDAC4 (0.68) HDAC4SLC6A7SYKTAS2R14IGF1R
SCHEMBL15606946 0.77 HDAC4 (0.76) HDAC4SLC6A7SYKTAS2R14IDH1
SCHEMBL15768990 0.74 HDAC4 (0.74) HDAC4SLC6A7MAPTSYK
SCHEMBL15606850 0.73 HDAC4 (1.00) HDAC4SLC6A7SYKTAS2R14
SCHEMBL15606874 0.73 HDAC4 (1.00) HDAC4SLC6A7SYKTAS2R14
SCHEMBL15547318 0.73 HDAC4 (0.55) HDAC4
SCHEMBL2138274 0.71 HDAC4 (0.56) HDAC4SLC6A7MAPTKMT2ASYK
SCHEMBL23683043 0.71 HDAC4 (0.68) HDAC4SLC6A7SYKIDH1IDH2
SCHEMBL4172326 0.71 SYK (0.56) HDAC4SLC6A7SYKTAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9855267-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-01-02 US disclosed
US-20170042892-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-02-16 US disclosed
US-9505736-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-11-29 US disclosed
US-20150203468-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2015-07-23 US disclosed
EP-2871955-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2015-05-20 EP disclosed
WO-2014014900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-01-23 WO 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-20170042892-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885SLC6A7 2607/4885SMN1; SMN2 3271/4885
US-20150203468-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885SLC6A7 2607/4885SMN1; SMN2 3271/4885

“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.