SCHEMBL5269592

SCHEMBL5269592

COc1ccc(CNC(C)c2ccc(Cl)c(Cl)c2Cl)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
LMNA P02545 4/20 0.45
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 2/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL5266007 0.88 KMT2A (0.50) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL5270109 0.84 MEN1 (0.51) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL5270154 0.84 MEN1 (0.51) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL5268793 0.83 ATM (0.55) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL5272819 0.82 CASR (0.51) MEN1KMT2ALMNAALDH1A1TDP1
SCHEMBL5266928 0.80 MEN1 (0.55) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL5269290 0.79 KMT2A (0.51) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5265972 0.78 KMT2A (0.53) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL5269356 0.77 SMN1; SMN2 (0.50) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5274512 0.77 SMN1; SMN2 (0.40) MEN1KMT2AALDH1A1POLBTDP1

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 MEN1 498/4885KMT2A 2648/4885LMNA 1166/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 MEN1 467/4885KMT2A 1610/4885LMNA 1926/4885

“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.