SCHEMBL2038046

SCHEMBL2038046

Cc1cc(OC(F)(F)CF)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
STAT3 P40763 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRNA3 P32297 1/20 0.33
ALDH1A1 P00352 2/20 0.33
FBP1 P09467 1/20 0.32
CRHR1 P34998 1/20 0.32
HBB P68871 1/20 0.32

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
SCHEMBL24901459 0.85 SMN1; SMN2 (0.41) SMN1; SMN2HAO1MAPK1LMNAALOX15
SCHEMBL29427162 0.82 GPR3 (0.45) SMN1; SMN2HAO1LMNAALOX15RAB9A
SCHEMBL1221631 0.82 GPR3 (0.45) SMN1; SMN2HAO1LMNAALOX15RAB9A
SCHEMBL3480421 0.81 PPARD (0.35)
SCHEMBL25875499 0.77 HAO1 (0.40) SMN1; SMN2HAO1MAPK1LMNAALOX15
SCHEMBL24901455 0.76 HAO1 (0.35) SMN1; SMN2HAO1MAPK1LMNAALOX15
SCHEMBL30752460 0.76 HAO1 (0.44) SMN1; SMN2HAO1MAPK1LMNAALOX15
SCHEMBL6466370 0.74 MAPT (0.34) LMNATSHRKMT2AMEN1RAB9A
SCHEMBL2038048 0.74 SMN1; SMN2 (0.47) SMN1; SMN2HAO1MAPK1LMNAALOX15
SCHEMBL29972693 0.74 SMN1; SMN2 (0.47) SMN1; SMN2HAO1MAPK1LMNAALOX15

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079674-B1 PROCESS FOR THE PREPARATION OF TRIFLUOROETHOXYTOLUENES GRINDEKS JSC (LV) 2011-06-29 EP disclosed
US-20100063292-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROETHOXYTOLUENES. GRINDEKS A JOINT STOCK COMPANY (LV) 2010-03-11 US disclosed
US-20100056794-A1 PROCESS FOR THE PREPARATION OF 2,5-BIS-(2,2,2-TRIFLUOROETHOXY)-N-(2-PIPERIDYL-METHYL)-BENZAMIDE AND SALTS THEREOF GRINDEKS A JOINT STOCK COMPANY (LV) 2010-03-04 US disclosed
EP-2079674-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROETHOXYTOLUENES Grindeks, a joint stock company (LV) 2009-07-22 EP disclosed
EP-2079692-A1 PROCESS FOR THE PREPARATION OF 2,5-BIS-(2,2,2-TRIFLUOROETHOXY)-N-(2-PIPERIDYLMETHYL)-BENZAMIDE AND SALTS THEREOF Grindeks, a joint stock company (LV) 2009-07-22 EP disclosed
WO-2008055849-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROETHOXYTOLUENES GRINDEKS, A JOINT STOCK COMPANY (LV) 2008-05-15 WO disclosed
WO-2008055851-A1 PROCESS FOR THE PREPARATION OF 2,5-BIS-(2,2,2-TRIFLUOROETHOXY)-N-(2-PIPERIDYLMETHYL)-BENZAMIDE AND SALTS THEREOF GRINDEKS, A JOINT STOCK COMPANY (LV) 2008-05-15 WO disclosed
EP-1918280-A1 Process for the preparation of 2,5-bis-(2,2,2-trifluoroethoxy)-N-(2-piperidylmethyl)-benzamide and salts thereof "Joint Stock Company Grindeks" (LV) 2008-05-07 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-20100056794-A1 PROCESS FOR THE PREPARATION OF 2,5-BIS-(2,2,2-TRIFLUOROETHOXY)-N-(2-PIPERIDYL-METHYL)-BENZAMIDE AND SALTS THEREOF BOLA2; BOLA2B, TET2, CYP1A2 SMN1; SMN2 1097/4885HAO1 1353/4885MAPK1 3021/4885
US-20100063292-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROETHOXYTOLUENES. CYP2C9, CYP3A4, CYP3A5 SMN1; SMN2 1342/4885HAO1 1782/4885MAPK1 3638/4885

“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.