SCHEMBL4015074

SCHEMBL4015074

O=C(O)CCc1cc2nc3cc(F)c(O)c(F)c3oc-2c(F)c1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.35
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSPA1A P0DMV8 1/20 0.31
HSPA8 P11142 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
BRCA1 P38398 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FFAR1 O14842 2/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL15354684 0.87 SLC6A3 (0.37) SLC6A3RXRARXRBRXRGALDH1A1
SCHEMBL4016498 0.84 RXRA (0.35) SLC6A3RXRARXRBRXRGALDH1A1
SCHEMBL14885544 0.81 TERT (0.35)
SCHEMBL15354679 0.78 HPGD (0.38) SLC6A3RXRARXRBRXRGALDH1A1
SCHEMBL4013705 0.78 APP (0.43) SLC6A3RXRARXRBRXRGALDH1A1
SCHEMBL15354678 0.71 APP (0.43) SLC6A3RXRARXRBRXRG
SCHEMBL12714377 0.65 APP (0.51)
SCHEMBL4017544 0.64 APP (0.43) SLC6A3RXRARXRBRXRGALDH1A1
SCHEMBL8776059 0.63 CSNK2A2 (0.34) ALDH1A1
SCHEMBL23440317 0.60 GPR35 (0.39) SLC6A3HSPA1AHSPA8HPGDALOX15

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
US-8569516-B2 Compounds and methods for fluorescent labeling ELITECH HOLDING B.V. (NL) 2013-10-29 US disclosed
US-7601851-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-10-13 US disclosed
EP-1991705-A4 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES INC (US) 2009-07-01 EP disclosed
EP-1991705-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING Epoch Biosciences, Inc. (US) 2008-11-19 EP disclosed
EP-1466176-A4 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES INC (US) 2008-10-01 EP disclosed
WO-2007098336-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES, INC. (US) 2007-08-30 WO disclosed
US-7112684-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2006-09-26 US disclosed
US-20060204990-A1 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2006-09-14 US disclosed
US-20050277144-A1 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2005-12-15 US disclosed
US-6972339-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2005-12-06 US disclosed
US-20050176066-A1 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2005-08-11 US disclosed
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES, INC. (US) 2005-08-04 US disclosed
EP-1466176-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING Epoch Biosciences, Inc. (US) 2004-10-13 EP disclosed
WO-2003023357-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES, INC. (US) 2003-03-20 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 (4 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-20050176066-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB SLC6A3 2107/4885RXRA 1741/4885RXRB 1075/4885
US-20060204990-A1 Compounds and methods for fluorescent labeling GLB1, HLCS, PFAS SLC6A3 1340/4885RXRA 1507/4885RXRB 922/4885
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING HLCS, GLB1, TUBB SLC6A3 2107/4885RXRA 1741/4885RXRB 1075/4885
US-20050277144-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB SLC6A3 2107/4885RXRA 1741/4885RXRB 1075/4885

“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.