SCHEMBL629295

SCHEMBL629295

CN(C)CC(=O)Nc1ccc(N2C(=O)N(CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)C(C)(C)C2=O)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.44
PGR P06401 1/20 0.44
HDAC1 Q13547 5/20 0.40
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 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
Hydrochloric Acid SCHEMBL891225 0.99 AR (0.44) ARPGRHDAC1HDAC3HDAC4
SCHEMBL630635 0.91 AR (0.38) ARPGRHDAC1
SCHEMBL629084 0.90 AR (0.47) ARPGRHDAC1
SCHEMBL891215 0.88 AR (0.46) ARPGRHDAC1
SCHEMBL629446 0.84 AR (0.46) ARPGRHDAC1
SCHEMBL890608 0.83 AR (0.47) ARPGRHDAC1
SCHEMBL628972 0.83 AR (0.50) ARPGR
SCHEMBL890915 0.82 AR (0.49) ARPGRHDAC1
SCHEMBL891163 0.81 AR (0.44) ARPGR
SCHEMBL890874 0.80 AR (0.46) ARPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710091-B2 Imidazolidine-2,4-dione derivatives, and use thereof as a cancer drug IPSEN PHARMA S.A.S. (FR) 2014-04-29 US claimed
EP-2419410-B1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA SAS (FR) 2013-03-06 EP claimed
US-20120083514-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA S.A.S. (FR) 2012-04-05 US claimed
EP-2419410-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA S.A.S. (FR) 2012-02-22 EP claimed
WO-2010119193-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA S.A.S. (FR) 2010-10-21 WO claimed
US-8710091-B2 Imidazolidine-2,4-dione derivatives, and use thereof as a cancer drug IPSEN PHARMA S.A.S. (FR) 2014-04-29 US disclosed
EP-2419410-B1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA SAS (FR) 2013-03-06 EP disclosed
US-20120083514-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA S.A.S. (FR) 2012-04-05 US disclosed
EP-2419410-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA S.A.S. (FR) 2012-02-22 EP disclosed
WO-2010119193-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA S.A.S. (FR) 2010-10-21 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 (1 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-20120083514-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG MKI67, CCND2, CCND1 AR 1752/4885PGR 765/4885HDAC1 448/4885

“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.