SCHEMBL5272129

SCHEMBL5272129

c1ccc(COc2ccc(CNC(Cc3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.59
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LTA4H P09960 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
BLM P54132 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL5269358 0.93 BCHE (0.54) BCHEMEN1KMT2APOLBMAPK1
SCHEMBL5269157 0.93 MEN1 (0.62) BCHEMEN1KMT2APOLBMAPK1
SCHEMBL5269605 0.87 BCHE (0.59) BCHEMEN1KMT2APOLBMAPK1
SCHEMBL5271341 0.86 BCHE (0.64) BCHEMEN1KMT2A
SCHEMBL5319794 0.86 MEN1 (0.62) BCHEMEN1KMT2AMAPK1L3MBTL1
SCHEMBL5265845 0.86 BCHE (0.69) BCHEMEN1KMT2APOLBMAPK1
SCHEMBL5273185 0.85 BCHE (0.60) BCHEMEN1KMT2APOLBMAPK1
SCHEMBL17465576 0.84 L3MBTL1 (0.65) BCHENPSR1SIGMAR1L3MBTL1MAPT
SCHEMBL28191143 0.84 L3MBTL1 (0.65) BCHENPSR1SIGMAR1L3MBTL1MAPT
SCHEMBL323594 0.82 BCHE (0.55) BCHEMEN1KMT2APOLBMAPK1

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 BCHE 1984/4885MEN1 498/4885KMT2A 2648/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 BCHE 2684/4885MEN1 467/4885KMT2A 1610/4885

“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.