SCHEMBL5266007

SCHEMBL5266007

COc1ccc(CNC(C)c2cccc(Cl)c2Cl)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ATM Q13315 1/20 0.47
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
CASR P41180 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CA2 P00918 1/20 0.41
KCNH2 Q12809 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
SCHEMBL5268793 0.90 ATM (0.55) KMT2AMEN1ATMLMNAHPGD
SCHEMBL5269592 0.88 MEN1 (0.51) KMT2AMEN1ATMLMNAALDH1A1
SCHEMBL5265972 0.85 KMT2A (0.53) KMT2AMEN1ATMLMNAHPGD
SCHEMBL5273084 0.83 CASR (0.57) KMT2AMEN1CASRL3MBTL1TDP1
SCHEMBL3932189 0.81 CASR (0.68) CASRKCNH2
SCHEMBL5270154 0.81 MEN1 (0.51) KMT2AMEN1LMNAHPGDALDH1A1
SCHEMBL5270109 0.81 MEN1 (0.51) KMT2AMEN1ATMLMNAHPGD
SCHEMBL5266302 0.79 CASR (0.51) KMT2AMEN1ATMLMNAHPGD
SCHEMBL5266928 0.79 MEN1 (0.55) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL5269125 0.78 POLB (0.45) KMT2AMEN1LMNACASRALDH1A1

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 5 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
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 (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-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, CYP8B1, CYP11B2 KMT2A 2648/4885MEN1 498/4885ATM 4581/4885

“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.