SCHEMBL5267686

SCHEMBL5267686

CC(NCc1ccccc1-c1ccccc1)c1ccc(Br)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
CCR5 P51681 1/20 0.39
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 1/20 0.38
CD274 Q9NZQ7 1/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TACR1 P25103 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
DPP4 P27487 1/20 0.35
POLB P06746 2/20 0.35
ADRB2 P07550 1/20 0.34
SCN8A Q9UQD0 1/20 0.34

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
SCHEMBL5268961 0.81 POLB (0.46) LMNAHTR7HTR6CCR5ALDH1A1
SCHEMBL5270107 0.79 LMNA (0.61) LMNACCR5ALDH1A1KMT2AMEN1
SCHEMBL5270750 0.79 CASR (0.45) LMNACCR5ALDH1A1RAB9AKMT2A
SCHEMBL5272745 0.78 L3MBTL1 (0.51) LMNAHTR7HTR6CCR5ALDH1A1
SCHEMBL5268078 0.77 SCN8A (0.40) HTR7ALDH1A1CD274SMN1; SMN2NPSR1
SCHEMBL5272030 0.76 TACR1 (0.39) LMNAALDH1A1RAB9ACD274TACR1
SCHEMBL5267946 0.76 TACR1 (0.36) LMNACD274KMT2ATACR1TAS1R3
SCHEMBL5272756 0.76 MEN1 (0.44) LMNARAB9ACD274KMT2AMEN1
SCHEMBL5265539 0.75 TACR1 (0.40) LMNAALDH1A1RAB9ACD274MAPK1
SCHEMBL3670703 0.75 MEN1 (0.51) LMNAALDH1A1MAPK1KMT2AMEN1

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 LMNA 1166/4885HTR7 56/4885HTR6 902/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 LMNA 1926/4885HTR7 230/4885HTR6 1236/4885

“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.