SCHEMBL4133423

SCHEMBL4133423

CC(=O)C[C@H](NC(=O)O)c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.52
CNR2 P34972 1/20 0.48
CTSA P10619 3/20 0.46
PGR P06401 1/20 0.46
AR P10275 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
MTOR P42345 1/20 0.44
GPR139 Q6DWJ6 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A9 P48067 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
CES2 O00748 1/20 0.41

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
SCHEMBL5823834 1.00 CYP26A1 (0.52) CYP26A1CNR2CTSAPGRAR
SCHEMBL5308831 0.86 CYP2C19 (0.50) CYP26A1CNR2CTSAPGRAR
SCHEMBL5308829 0.86 CYP2C19 (0.50) CYP26A1CNR2CTSAPGRAR
SCHEMBL7244885 0.85 CYP26A1 (0.55) CYP26A1CNR2CTSAPGRAR
SCHEMBL23100732 0.83 ROCK1 (0.53) CYP26A1CNR2CTSAPGRAR
SCHEMBL3585946 0.83 ROCK1 (0.53) CYP26A1CNR2CTSAPGRAR
SCHEMBL4142005 0.82 KMT2A (0.51) CYP26A1ALDH1A1LMNAKDM4E
SCHEMBL10962850 0.82 KMT2A (0.51) CYP26A1ALDH1A1LMNAKDM4E
SCHEMBL4011433 0.82 CYP26A1 (0.58) CYP26A1CNR2CTSAPGRAR
SCHEMBL5674456 0.82 ROCK2 (0.50) CYP26A1CNR2HDAC4HDAC7HDAC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 US disclosed
EP-1963303-A2 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2008-09-03 EP disclosed
WO-2007066201-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2007-06-14 WO disclosed
WO-2006136917-A1 TRIAZOLYLPIPERIDINE DERIVATIVES AND USE THEREOF IN THERAPY PFIZER LIMITED (GB) 2006-12-28 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-20090209578-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CXCR1 CYP26A1 917/4885CNR2 63/4885CTSA 3035/4885

“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.