SCHEMBL5533277

SCHEMBL5533277

F[B-](F)(F)F.O=c1ccccn1[O+]=C(N1CCCCC1)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
HPGD P15428 7/20 0.36
TSHR P16473 3/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 3/20 0.35
GAA P10253 3/20 0.35
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GLA P06280 1/20 0.34
HTT P42858 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6835204 0.65 CYP2C9 (0.47) MAPTGAAALDH1A1HSD17B10MEN1
SCHEMBL19817425 0.65 BCHE (0.49) MAPTHPGDGAAALDH1A1HSD17B10
SCHEMBL6503703 0.64 HTT (0.53) MAPTHPGDTSHRRECQLLMNA
SCHEMBL1553234 0.63 CYP2C9 (0.45) MAPTGAAALDH1A1HSD17B10MEN1
SCHEMBL3181930 0.63 ALDH1A1 (0.32) MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL6495535 0.62 HTT (0.51) MAPTHPGDTSHRRECQLLMNA
SCHEMBL21163363 0.59 HTT (0.58) MAPTHPGDTSHRRECQLLMNA
SCHEMBL29944169 0.59 MEN1 (0.72) HPGDTSHRLMNAALDH1A1MEN1
SCHEMBL2951307 0.59 MEN1 (0.72) HPGDTSHRLMNAALDH1A1MEN1
Hydrochloric Acid SCHEMBL10759949 0.58 MEN1 (0.70) HPGDTSHRLMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871774-B1 DETECTION OF NUCLEIC ACIDS AND NUCLEIC ACID UNITS UNIV STRATHCLYDE (GB) 2007-05-02 EP disclosed
US-7045592-B2 Processes for coupling amino acids using bis-(trichloromethyl) carbonate DEVELOGEN ISRAEL LTD. (IL) 2006-05-16 US disclosed
EP-1097164-A4 PROCESSES FOR COUPLING AMINO ACIDS USING BIS-(TRICHLOROMETHYL) CARBONATE PEPTOR LTD (IL) 2005-05-25 EP disclosed
US-6664305-B2 Chromatography material and a process of manufacturing that material BIA SEPARATIONS D.O.O. (SI) 2003-12-16 US disclosed
US-20030195331-A1 Processes for coupling amino acids using bis-(trichloromethyl) carbonate PEPTOR LTD. (IL) 2003-10-16 US disclosed
US-20030125204-A1 Chromatography material and a process of manufacturing that material BIA SEPARATIONS D.O.O. (SI) 2003-07-03 US disclosed
EP-1294480-A1 A CHROMATOGRAPHY MATERIAL AND A PROCESS OF MANUFACTURING THAT MATERIAL Bia Separations D.O.O. (SI) 2003-03-26 EP disclosed
US-6512092-B2 Solid phase peptide synthesis; in situ generation of amino acid chloride by deblocking; coupling sterically hindered amino acid residues PEPTOR LTD. (IL) 2003-01-28 US disclosed
WO-2002000337-A1 A CHROMATOGRAPHY MATERIAL AND A PROCESS OF MANUFACTURING THAT MATERIAL BIA SEPARATIONS D.O.O. (SI) 2002-01-03 WO disclosed
US-20010018503-A1 Fluorescent water-soluble polymers NALCO CHEMICAL COMPANY 2001-08-30 US disclosed
US-20010007037-A1 Processes for coupling amino acids using bis-(trichloromethyl) carbonate FALB ELIEZER (IL) 2001-07-05 US disclosed
EP-1097164-A1 PROCESSES FOR COUPLING AMINO ACIDS USING BIS-(TRICHLOROMETHYL) CARBONATE PEPTOR LTD (IL) 2001-05-09 EP disclosed
WO-2001007430-A1 FLUORESCENT WATER-SOLUBLE POLYMERS NALCO CHEMICAL COMPANT (US) 2001-02-01 WO disclosed
WO-2000002898-A1 PROCESSES FOR COUPLING AMINO ACIDS USING BIS-(TRICHLOROMETHYL) CARBONATE PEPTOR LTD. (IL) 2000-01-20 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-20010007037-A1 Processes for coupling amino acids using bis-(trichloromethyl) carbonate PTMS, BCAT1, DAO MAPT 3571/4885HPGD 4034/4885TSHR 453/4885
US-20030195331-A1 Processes for coupling amino acids using bis-(trichloromethyl) carbonate PTMS, BCAT1, DAO MAPT 3571/4885HPGD 4034/4885TSHR 453/4885

“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.