SCHEMBL6448723

SCHEMBL6448723

CCOc1ccccc1C=NC(C)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 4/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 3/20 0.39
MEN1 O00255 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.39
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL6444437 0.91 LMNA (0.46) LMNAHPGDTSHRATMMAPT
SCHEMBL6444440 0.91 LMNA (0.46) LMNAHPGDTSHRATMMAPT
SCHEMBL6443315 0.87 LMNA (0.48) LMNAHPGDTSHRATMMAPT
SCHEMBL6443312 0.87 LMNA (0.48) LMNAHPGDTSHRATMMAPT
SCHEMBL6442833 0.85 GRIN2D (0.42) LMNAHPGDMAPTSMN1; SMN2KMT2A
SCHEMBL6442838 0.85 GRIN2D (0.42) LMNAHPGDMAPTSMN1; SMN2KMT2A
SCHEMBL6441474 0.85 LMNA (0.48) LMNAHPGDTSHRATMMAPT
SCHEMBL6441478 0.85 LMNA (0.48) LMNAHPGDTSHRATMMAPT
SCHEMBL6442705 0.84 HPGD (0.44) LMNAHPGDTSHRATMMAPT
SCHEMBL6442702 0.84 HPGD (0.44) LMNAHPGDTSHRATMMAPT

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
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
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 LMNA 1166/4885HPGD 549/4885TSHR 2968/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 LMNA 1926/4885HPGD 1500/4885TSHR 2789/4885

“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.