SCHEMBL4011884

SCHEMBL4011884

COC(=O)CCc1cc(C(=O)c2c(F)c(F)c(F)c(F)c2C(=O)O)c(O)c(Cl)c1O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
TSHR P16473 1/20 0.31
GFER P55789 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
RARA P10276 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4013710 0.90 ALDH1A1 (0.38) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL4358865 0.88 ALDH1A1 (0.36) ALDH1A1MAPK1MEN1KMT2ACYP1A2
SCHEMBL4361731 0.87 L3MBTL1 (0.32) ALDH1A1MAPK1MEN1KMT2ACYP1A2
SCHEMBL4363671 0.85 DPP4 (0.37) ALDH1A1MAPK1MEN1KMT2AL3MBTL1
SCHEMBL4358008 0.84 ALDH1A1 (0.34) ALDH1A1MAPK1L3MBTL1
SCHEMBL4017470 0.83 ALDH1A1 (0.39) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL4011696 0.81 KMT2A (0.41) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL4356056 0.80 L3MBTL1 (0.34) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL10138023 0.80 TSHR (0.37) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL2348285 0.80 PBRM1 (0.36) MEN1KMT2ATSHRCYP1A2CYP3A4

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 ALDH1A1 218/4885MAPK1 4791/4885MEN1 2876/4885
US-20060204990-A1 Compounds and methods for fluorescent labeling GLB1, HLCS, PFAS ALDH1A1 445/4885MAPK1 4800/4885MEN1 2365/4885
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING HLCS, GLB1, TUBB ALDH1A1 218/4885MAPK1 4791/4885MEN1 2876/4885
US-20050277144-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB ALDH1A1 218/4885MAPK1 4791/4885MEN1 2876/4885

“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.