SCHEMBL5268086

SCHEMBL5268086

COc1ccccc1CNC(C)c1ccc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.46
HTR2A P28223 4/20 0.45
HTR2C P28335 4/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.43
HTR2B P41595 3/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
KCNH2 Q12809 1/20 0.43
POLB P06746 1/20 0.42
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL5270743 0.88 L3MBTL1 (0.52) L3MBTL1ATMLMNAALDH1A1KDM4E
SCHEMBL5269290 0.80 KMT2A (0.51) ATMHTR2AHTR2CALDH1A1KDM4E
SCHEMBL5272030 0.80 TACR1 (0.39) LMNAALDH1A1MAPT
SCHEMBL5268055 0.79 ATM (0.54) L3MBTL1ATMLMNAALDH1A1KDM4E
SCHEMBL5266579 0.78 L3MBTL1 (0.50) L3MBTL1ATMLMNAALDH1A1KDM4E
SCHEMBL5270005 0.78 GAA (0.56) L3MBTL1ATMLMNAALDH1A1KDM4E
SCHEMBL5265964 0.77 SLC6A2 (0.49) L3MBTL1ATMSMN1; SMN2LMNAALDH1A1
SCHEMBL5271267 0.77 ATM (0.52) L3MBTL1ATMLMNAHTR2AHTR2C
SCHEMBL5270107 0.77 LMNA (0.61) L3MBTL1ATMSMN1; SMN2LMNAHTR2A
SCHEMBL5270843 0.77 SLC6A2 (0.49) L3MBTL1ATMSMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074539-B1 Process for producing optically active 3,3,3,-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL CO (JP) 2007-10-17 EP disclosed
US-6894190-B2 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed
US-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2003-12-18 US disclosed
US-6653507-B2 Useful intermediate compound of pharmaceuticals for urinary incontinence SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-11-25 US disclosed
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2002-10-03 US disclosed
US-6403832-B1 MIXING ACID WITH AMINE, PRECIPITATING SALT, AND FILTERING; GOOD OPTICAL PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-11 US disclosed
EP-1074539-A2 Process for producing optically active 3,3,3,-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-07 EP 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-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, CYP8B1, CYP11B2 L3MBTL1 4870/4885ATM 4581/4885SMN1; SMN2 875/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 L3MBTL1 4844/4885ATM 4732/4885SMN1; SMN2 913/4885

“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.