SCHEMBL420088

SCHEMBL420088

NNS(=O)(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 7/20 0.49
POLB P06746 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RECQL P46063 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL13485842 0.86 KDM4E (0.57) CYP1A2CYP2C9KDM4EALDH1A1POLB
SCHEMBL2494492 0.81 KDM4E (0.50) CYP1A2CYP2C9KDM4EALDH1A1POLB
SCHEMBL3944492 0.77 CNR2 (0.46) CYP1A2CYP2C9KDM4EALDH1A1POLB
SCHEMBL3944489 0.77 CNR2 (0.46) CYP1A2CYP2C9KDM4EALDH1A1POLB
SCHEMBL3943111 0.75 ALDH1A1 (0.47) CYP1A2CYP2C9KDM4EALDH1A1POLB
SCHEMBL3943115 0.75 ALDH1A1 (0.47) CYP1A2CYP2C9KDM4EALDH1A1POLB
SCHEMBL5386607 0.74 SCN9A (0.41) CYP1A2CYP2C9KDM4EALDH1A1POLB
SCHEMBL3810139 0.73 CTSL (0.39) CYP1A2CYP2C9KDM4EALDH1A1POLB
SCHEMBL11784892 0.72 KDM4E (0.79) CYP1A2CYP2C9KDM4EALDH1A1POLB
SCHEMBL3940599 0.72 ALDH1A1 (0.47) CYP1A2CYP2C9KDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115065-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with Arenaviruses Kineta, Inc. (US) 2015-08-25 US disclosed
US-20140378681-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS,PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES INC. (US) 2014-12-25 US disclosed
US-8410149-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES INC. (US) 2013-04-02 US disclosed
WO-2012060820-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2012-05-10 WO disclosed
US-20120022027-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES INC. (US) 2012-01-26 US disclosed
EP-1320523-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER LAMBERT CO (US) 2005-06-22 EP disclosed
US-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
EP-1320523-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Warner-Lambert Company LLC (US) 2003-06-25 EP disclosed
WO-2002024672-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2002-03-28 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-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases BCAT1, BCAT2, ABAT CYP1A2 1698/4885CYP2C9 1549/4885KDM4E 3961/4885
US-20140378681-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS,PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES GBA1, GK, GCK CYP1A2 4380/4885CYP2C9 3876/4885KDM4E 1778/4885
US-20120022027-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES GBA1, GK, GCK CYP1A2 4380/4885CYP2C9 3876/4885KDM4E 1778/4885

“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.