SCHEMBL6445689

SCHEMBL6445689

COc1ccccc1C=NC(C)c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
HTT P42858 4/20 0.41
GAA P10253 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALOX12 P18054 1/20 0.41
LMNA P02545 4/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.40
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL6442356 0.90 ANO1 (0.44) ANO1SMN1; SMN2HTTGAAALDH1A1
SCHEMBL6442353 0.90 ANO1 (0.44) ANO1SMN1; SMN2HTTGAAALDH1A1
SCHEMBL6443312 0.87 LMNA (0.48) SMN1; SMN2HTTGAAKDM4EHPGD
SCHEMBL6443315 0.87 LMNA (0.48) SMN1; SMN2HTTGAAKDM4EHPGD
SCHEMBL6442986 0.86 GAA (0.43) SMN1; SMN2GAAALDH1A1KDM4EHPGD
SCHEMBL6442988 0.86 GAA (0.43) SMN1; SMN2GAAALDH1A1KDM4EHPGD
SCHEMBL6442838 0.85 GRIN2D (0.42) ANO1SMN1; SMN2HTTGAAALDH1A1
SCHEMBL6442833 0.85 GRIN2D (0.42) ANO1SMN1; SMN2HTTGAAALDH1A1
SCHEMBL6444068 0.83 GRIN2D (0.40) SMN1; SMN2GAAALDH1A1KDM4EHPGD
SCHEMBL6442668 0.80 GAA (0.41) SMN1; SMN2GAAALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ANO1 442/4885SMN1; SMN2 875/4885HTT 1573/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 ANO1 196/4885SMN1; SMN2 913/4885HTT 2777/4885

“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.