SCHEMBL4906161

SCHEMBL4906161

CCC(C(=O)N(C)C)N(Cc1cccc(C(F)(F)F)c1)c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.56
PGR P06401 3/20 0.56
HDAC6 Q9UBN7 2/20 0.39
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
CETP P11597 5/20 0.38
PTGES O14684 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
S1PR1 P21453 1/20 0.36
SERPINE1 P05121 1/20 0.35
PDK1 Q15118 1/20 0.35

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
SCHEMBL4594109 0.91 AR (0.59) ARPGRUBE2MDCUN1D1RXRA
SCHEMBL4595355 0.90 AR (0.58) ARPGRUBE2MDCUN1D1RXRA
SCHEMBL4594137 0.89 PGR (0.68) ARPGRHDAC6UBE2MDCUN1D1
SCHEMBL4594136 0.89 PGR (0.68) ARPGRHDAC6UBE2MDCUN1D1
SCHEMBL4595520 0.84 AR (0.66) ARPGRRXRARXRBRXRG
SCHEMBL4908651 0.84 AR (0.54) ARPGRUBE2MDCUN1D1RXRA
SCHEMBL4594051 0.83 AR (0.56) ARPGRUBE2MDCUN1D1RXRA
SCHEMBL3287894 0.82 AR (0.77) ARPGRRXRARXRBRXRG
SCHEMBL4596168 0.82 AR (0.59) ARPGRS1PR1
SCHEMBL4898476 0.82 PGR (0.59) ARPGRUBE2MDCUN1D1S1PR1

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-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 US claimed
US-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 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 (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-20080194536-A1 Cyanoarylamines EDNRA, CYP19A1, HSD17B11 AR 84/4885PGR 64/4885HDAC6 1455/4885

“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.