SCHEMBL2154048

SCHEMBL2154048

CC(C)(C)OC(=O)N1CC(=S)NC(c2cc(Br)ccc2F)(C(F)F)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.39
DPP4 P27487 1/20 0.35
RORC P51449 3/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
NR1H2 P55055 2/20 0.34
ABHD6 Q9BV23 1/20 0.33
ESR2 Q92731 1/20 0.33
GPR119 Q8TDV5 3/20 0.33
HDAC1 Q13547 1/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP3A5 P20815 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL2154145 0.89 USP30 (0.40) USP30DPP4RORCDDB1CRBN
SCHEMBL2153525 0.75 BACE1 (0.40) USP30NR1H2
SCHEMBL27890602 0.74 KMT2A (0.32) DPP4
SCHEMBL2153448 0.72 USP30 (0.39) USP30CYP3A4CYP3A5
SCHEMBL20242150 0.71 RORC (0.45) USP30DPP4RORCESR2GPR119
SCHEMBL38652197 0.71 RORC (0.45) USP30RORCESR2GPR119HDAC1
SCHEMBL38652363 0.71 RORC (0.45) USP30DPP4RORCESR2GPR119
SCHEMBL20243053 0.71 RORC (0.45) USP30DPP4RORCESR2GPR119
SCHEMBL22981885 0.70 ESR2 (0.46) USP30RORCDDB1CRBNNR1H2
SCHEMBL29407443 0.70 ESR2 (0.46) USP30RORCDDB1CRBNNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322038-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-11-12 US disclosed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US disclosed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP disclosed
EP-2519515-B1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2013-11-06 EP disclosed
EP-2519515-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-11-07 EP disclosed
US-20120277244-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-11-01 US disclosed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO disclosed
WO-2011080176-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2011-07-07 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 (3 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-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP USP30 3078/4885DPP4 18/4885RORC 1430/4885
US-20150322038-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS GRIK5, GRIN2C, GRIN2A USP30 3414/4885DPP4 650/4885RORC 865/4885
US-20120277244-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS GRIK5, GRIN2C, GRIN2A USP30 3646/4885DPP4 828/4885RORC 711/4885

“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.