SCHEMBL17420511

SCHEMBL17420511

CCOC(=O)C(F)(F)c1ccc(C)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PIN1 Q13526 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR2 P34972 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL17420513 0.86 ALDH1A1 (0.45) HDAC3HDAC4HDAC1HDAC6CYP1A2
SCHEMBL17713119 0.85 ALDH1A1 (0.40) HDAC3HDAC4HDAC1HDAC6CYP1A2
SCHEMBL30628304 0.85 HTT (0.46) HDAC3HDAC4HDAC1HDAC6CYP1A2
SCHEMBL17420470 0.85 HTT (0.46) HDAC3HDAC4HDAC1HDAC6CYP1A2
SCHEMBL17420694 0.84 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTKDM4EHPGD
SCHEMBL17420451 0.81 FFAR4 (0.41) HDAC3HDAC4HDAC1HDAC6CYP1A2
SCHEMBL13199349 0.80 PIN1 (0.50) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL30628291 0.78 AKR1C3 (0.40) CYP2C9SMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL17420653 0.78 AKR1C3 (0.40) CYP2C9SMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL30087617 0.77 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTNPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170991-B Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2023-10-31 CN disclosed
EP-3594211-B1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2023-10-25 EP disclosed
US-20220387413-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2022-12-08 US disclosed
US-11241423-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2022-02-08 US disclosed
US-20200163948-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2020-05-28 US disclosed
CN-111170991-A Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2020-05-19 CN disclosed
CN-106660991-B Antiproliferative compounds and methods of use thereof 细胞基因公司 2020-03-13 CN disclosed
EP-3166937-B1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2019-09-04 EP disclosed
US-20180221361-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2018-08-09 US disclosed
US-9968596-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2018-05-15 US disclosed
US-20180021325-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2018-01-25 US disclosed
US-9808451-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2017-11-07 US disclosed
EP-3166937-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF Celgene Corporation (US) 2017-05-17 EP disclosed
US-20170007590-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2017-01-12 US disclosed
US-9499514-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2016-11-22 US disclosed
US-20160009683-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORPORATION 2016-01-14 US disclosed
WO-2016007848-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORPORATION (US) 2016-01-14 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 (7 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-20220387413-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX HDAC3 667/4885HDAC4 663/4885HDAC1 151/4885
US-20170007590-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX HDAC3 667/4885HDAC4 663/4885HDAC1 151/4885
US-11241423-B2 Antiproliferative compounds and methods of use thereof MCL1, MKI67, BAX HDAC3 667/4885HDAC4 663/4885HDAC1 151/4885
US-20200163948-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX HDAC3 667/4885HDAC4 663/4885HDAC1 151/4885
US-20160009683-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX HDAC3 667/4885HDAC4 663/4885HDAC1 151/4885
US-20180021325-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX HDAC3 667/4885HDAC4 663/4885HDAC1 151/4885
US-20180221361-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX HDAC3 667/4885HDAC4 663/4885HDAC1 151/4885

“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.