SCHEMBL2401919

SCHEMBL2401919

COC(=O)[C@H](F)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 2/20 0.44
SLC6A3 Q01959 2/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43

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
SCHEMBL2078143 1.00 KMT2A (0.64) KMT2AALDH1A1MEN1PTGS1PTGS2
SCHEMBL7096973 0.83 KMT2A (0.55) KMT2AALDH1A1MEN1PTGS1PTGS2
SCHEMBL7279830 0.83 KMT2A (0.47) KMT2ALMNA
SCHEMBL11861772 0.82 KEAP1 (0.45) KMT2AALDH1A1MEN1LMNAKEAP1
SCHEMBL27441057 0.82 ESR1 (0.54) KMT2A
SCHEMBL10967855 0.80 KMT2A (0.50) KMT2AALDH1A1GAATSHRKEAP1
SCHEMBL20943223 0.80 CYP1A2 (0.48) KMT2AALDH1A1TSHR
SCHEMBL2400228 0.80 MMP8 (0.56) KMT2AMEN1GAALMNATSHR
SCHEMBL324209 0.80 MMP8 (0.56) KMT2AMEN1GAALMNATSHR
SCHEMBL4290959 0.80 MMP8 (0.56) KMT2AMEN1GAALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252559-B2 Methods and systems for selective fluorination of organic molecules THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-8252559-B2 Methods and systems for selective fluorination of organic molecules THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-8252559-B2 Methods and systems for selective fluorination of organic molecules THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-8026085-B2 Methods and systems for selective fluorination of organic molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-09-27 US disclosed
US-8026085-B2 Methods and systems for selective fluorination of organic molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-09-27 US disclosed
US-20090209010-A1 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-08-20 US disclosed
US-20090209010-A1 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-08-20 US disclosed
US-20090209010-A1 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-08-20 US disclosed
US-20090061471-A1 Methods and systems for selective fluorination of organic molecules INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-03-05 US disclosed
US-20090061471-A1 Methods and systems for selective fluorination of organic molecules INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-03-05 US disclosed
WO-2009018116-A1 PROCESS FOR FLUORINATION USING 1,1,2,2-TETRAFLUOROETHYL-N,N-DIMETHYLAMINE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-02-05 WO disclosed
WO-2009018116-A1 PROCESS FOR FLUORINATION USING 1,1,2,2-TETRAFLUOROETHYL-N,N-DIMETHYLAMINE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-02-05 WO disclosed
US-20090030246-A1 PROCESS FOR FLUORINATION USING 1,1,2,2-TETRAFLUOROETHYL-N,N-DIMETHYLAMINE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-01-29 US disclosed
US-20090030246-A1 PROCESS FOR FLUORINATION USING 1,1,2,2-TETRAFLUOROETHYL-N,N-DIMETHYLAMINE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-01-29 US disclosed
US-20090030246-A1 PROCESS FOR FLUORINATION USING 1,1,2,2-TETRAFLUOROETHYL-N,N-DIMETHYLAMINE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-01-29 US 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 (1 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-20090030246-A1 PROCESS FOR FLUORINATION USING 1,1,2,2-TETRAFLUOROETHYL-N,N-DIMETHYLAMINE FLNA, FLNB, AFF1 KMT2A 980/4885ALDH1A1 451/4885MEN1 458/4885

“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.