SCHEMBL6802200

SCHEMBL6802200

COC(=O)c1oc(N)nc1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.51
ALDH1A1 P00352 6/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 5/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 2/20 0.45
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36
HTT P42858 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
CELA1 Q9UNI1 1/20 0.34

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
SCHEMBL781841 0.81 FBP1 (0.56) FBP1ALDH1A1LMNAKDM4EHPGD
SCHEMBL408193 0.80 ALDH1A1 (0.53) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL2714738 0.79 GABRP (0.39) FBP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4528112 0.78 HSD17B10 (0.37) FBP1ALDH1A1LMNAKDM4EHPGD
SCHEMBL3416276 0.77 ALDH1A1 (0.58) FBP1ALDH1A1LMNAKDM4EHPGD
SCHEMBL22308295 0.77 ALDH1A1 (0.50) FBP1ALDH1A1LMNAKDM4EHPGD
SCHEMBL14125957 0.77 FBP1 (0.45) FBP1ALDH1A1LMNAKDM4EHPGD
SCHEMBL22308291 0.76 ALDH1A1 (0.49) FBP1ALDH1A1LMNAKDM4EHPGD
SCHEMBL11900084 0.74 ALDH1A1 (0.48) FBP1ALDH1A1LMNAKDM4EHPGD
SCHEMBL20530816 0.73 FBP1 (0.59) FBP1ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287021-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING PROTEGO BIOPHARMA, INC. 2023-09-14 US disclosed
US-20230287021-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING PROTEGO BIOPHARMA, INC. 2023-09-14 US disclosed
EP-4097092-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING Protego Biopharma, Inc. (US) 2022-12-07 EP disclosed
CN-115298168-A Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding 普罗泰格生物制药公司 2022-11-04 CN disclosed
CN-113365995-A Immunomodulator, composition and method thereof 贝达药业股份有限公司 2021-09-07 CN disclosed
WO-2021154842-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING PROTEGO BIOPHARMA, INC. (US) 2021-08-05 WO disclosed
WO-2020156323-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-08-06 WO disclosed
US-6743814-B2 REACTING 4-BROMO-1,1,2-TRIFLUORO-1-BUTENE WITH 2-MERCAPTO-OXAZOLE NIHON BAYER AGROCHEM K.K. (JP) 2004-06-01 US disclosed
US-20030109563-A1 Combating nematodes characterized in that trifluorobutenes of the formula (I) are allowed to act on nematodes and/or their habitat. NIHON BAYER AGROCHIM K.K. (JP) 2003-06-12 US disclosed
EP-0749433-B1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY SYNGENTA LTD (GB) 2003-05-07 EP disclosed
EP-1263744-A1 NEMATICIDAL TRIFLUOROBUTENES NIHON BAYER AGROCHEM K.K. (JP) 2002-12-11 EP disclosed
WO-2001066529-A1 NEMATICIDAL TRIFLUOROBUTENES NIHON BAYER AGROCHEM K.K. (DE) 2001-09-13 WO disclosed
US-5952359-A NEMATICIDES, INSECTICIDES AND MITICIDES; 1,1-DIFLUORO-3-(THIAZOLYL OR ISOTHIAZOYL-THIO (OR SULFINYL OR SULFONYL)-PROP-1-ENE DERIVATIVES ZENECA LIMITED (GB) 1999-09-14 US disclosed
US-5912243-A NOVEL COMPOUNDS FOR CONTROLLING NEMATODES, INSECT OR ACARID PESTS ZENECA LIMITED (GB) 1999-06-15 US disclosed
US-5705516-A NEMATOCIDES, INSECTICIDES, ACARICIDES ZENECA LIMITED (GB) 1998-01-06 US disclosed
WO-1995024403-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1995-09-14 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 (2 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-20230287021-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING TTR, TTPA, TNNC1 FBP1 2045/4885ALDH1A1 3122/4885LMNA 285/4885
US-20030109563-A1 Combating nematodes characterized in that trifluorobutenes of the formula (I) are allowed to act on nematodes and/or their habitat. NAT1, CNR1, CTRL FBP1 2236/4885ALDH1A1 676/4885LMNA 2232/4885

“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.