SCHEMBL5269698

SCHEMBL5269698

CC(/N=C/c1cccc(Oc2ccccc2)c1)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 4/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 3/20 0.39
EPOR P19235 1/20 0.39
ALOX5 P09917 2/20 0.39
CASP3 P42574 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KLF5 Q13887 1/20 0.39
TLR4 O00206 1/20 0.38
TLR2 O60603 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL5269701 1.00 MAPT (0.49) MAPTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL5269703 1.00 MAPT (0.49) MAPTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL5271553 0.93 MAPT (0.50) MAPTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL5271551 0.93 MAPT (0.50) MAPTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL5271557 0.93 MAPT (0.50) MAPTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL5270996 0.89 SMN1; SMN2 (0.41) MAPTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL5270990 0.89 SMN1; SMN2 (0.41) MAPTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL5265865 0.86 SMN1; SMN2 (0.44) MAPTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL5265854 0.86 SMN1; SMN2 (0.44) MAPTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL7038968 0.86 SMN1; SMN2 (0.44) MAPTLMNASMN1; SMN2ALDH1A1HPGD

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 MAPT 3372/4885LMNA 1166/4885SMN1; 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 MAPT 3126/4885LMNA 1926/4885SMN1; 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.