SCHEMBL1637332

SCHEMBL1637332

CCCCC([O])C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
DNM1 Q05193 2/20 0.36
FDPS P14324 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 7/20 0.34
MAPK1 P28482 1/20 0.34
CES1 P23141 4/20 0.33
CES2 O00748 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL50605 0.90 MAPT (0.43) FDPSFAAHCES1CES2MEN1
SCHEMBL7691929 0.90 MAPT (0.43) FDPSFAAHCES1CES2MEN1
SCHEMBL27989310 0.76
SCHEMBL8373096 0.76 CA2 (0.44) CA2CA1DNM1FDPSTSHR
SCHEMBL27411193 0.74 DNM1 (0.36) CA2CA1DNM1FDPSTSHR
SCHEMBL7626563 0.72 DNM1 (0.39) CA2CA1DNM1FDPSTSHR
SCHEMBL22161805 0.72 FDPS (0.40) CA2CA1DNM1FDPSTSHR
SCHEMBL622107 0.71
SCHEMBL23010963 0.70 DNM1 (0.38) CA2CA1DNM1FDPSTSHR
SCHEMBL21888898 0.70 DNM1 (0.38) CA2CA1DNM1FDPSTSHR

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-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 US disclosed
WO-2009121033-A2 SUBSTITUTED NITROGEN HETEROCYCLES AND SYNTHESIS AND USES THEREOF UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 WO disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 US 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-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT CA2 3571/4885CA1 3563/4885DNM1 1357/4885
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT CA2 3571/4885CA1 3563/4885DNM1 1357/4885

“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.