SCHEMBL2849892

SCHEMBL2849892

O/N=C/c1cccc(OC(F)(F)C(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
MAPT P10636 4/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM5 P08912 1/20 0.40
CETP P11597 6/20 0.38
EPHX2 P34913 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13322138 1.00 PIM1 (0.49) PIM1PIM2MAPTHTTKDM4E
SCHEMBL2849894 1.00 PIM1 (0.49) PIM1PIM2MAPTHTTKDM4E
SCHEMBL2165066 0.85 PIM1 (0.46) PIM1PIM2MAPTKDM4EALDH1A1
SCHEMBL17301884 0.85 PIM1 (0.46) PIM1PIM2MAPTKDM4EALDH1A1
SCHEMBL2165070 0.85 PIM1 (0.46) PIM1PIM2MAPTKDM4EALDH1A1
SCHEMBL7238445 0.84 PIM1 (0.49) PIM1PIM2MAPTHTTCHRM5
SCHEMBL10593386 0.82 DRD1 (0.46) MAPTKDM4EALDH1A1L3MBTL1CHRM5
SCHEMBL10593391 0.82 DRD1 (0.46) MAPTKDM4EALDH1A1L3MBTL1CHRM5
SCHEMBL10663191 0.80 ALDH1A1 (0.49) MAPTHTTKDM4EALDH1A1L3MBTL1
SCHEMBL10663187 0.80 ALDH1A1 (0.49) MAPTHTTKDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130784-A1 SUBSTITUTED 1,1,1-TRIFLUORO-3-[(BENZYL)-(PYRIMIDIN-2-YL)-AMINO]-PROPAN-2-OL COMPOUNDS PFIZER INC. 2010-05-27 US disclosed
EP-1856060-A1 SUBSTITUTED 1,1,1-TRIFLUORO-3-[(BENZYL)-(PYRIMIDIN-2-YL)-AMINO]-PROP AN-2-OL COMPOUNDS Pfizer Products Inc. (US) 2007-11-21 EP disclosed
WO-2006090250-A1 SUBSTITUTED 1,1,1-TRIFLUORO-3-[(BENZYL)-(PYRIMIDIN-2-YL)-AMINO]-PROP AN-2-OL COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-08-31 WO 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 (1 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-20100130784-A1 SUBSTITUTED 1,1,1-TRIFLUORO-3-[(BENZYL)-(PYRIMIDIN-2-YL)-AMINO]-PROPAN-2-OL COMPOUNDS APOB, LDLR, HDLBP PIM1 2738/4885PIM2 2979/4885MAPT 2160/4885

“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.