SCHEMBL15033733

SCHEMBL15033733

O=C(OCI)Oc1c(F)c(F)cc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
MAPK1 P28482 1/20 0.33
MAOB P27338 1/20 0.31
RIPK1 Q13546 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL15033720 0.84 MTOR (0.33)
SCHEMBL2153565 0.82 CA1 (0.44) MAPTKDM4EALDH1A1HTTCA1
SCHEMBL17740107 0.74 CA1 (0.41) MAPTKDM4EALDH1A1HTTCA1
SCHEMBL18697369 0.73 CA1 (0.44) MAPTKDM4EALDH1A1HTTCA1
SCHEMBL10657535 0.73 CA1 (0.47) MAPTCA1CA2CA4CES2
SCHEMBL19484370 0.73 MAPT (0.41) MAPTKDM4EALDH1A1HTTCA1
SCHEMBL15763915 0.72 MAPT (0.43) MAPTKDM4EALDH1A1HTTCA1
SCHEMBL26770524 0.71 CA1 (0.43) MAPTKDM4EALDH1A1HTTCA1
SCHEMBL1994881 0.71 CA1 (0.43) MAPTKDM4EALDH1A1HTTCA1
SCHEMBL319016 0.71 CA1 (0.39) MAPTKDM4EALDH1A1HTTCA1

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-9611284-B2 Prostaglandin-bisphosphonate conjugate compounds, methods of making same, and uses thereof SIMON FRASER UNIVERSITY (CA) 2017-04-04 US disclosed
US-9611284-B2 Prostaglandin-bisphosphonate conjugate compounds, methods of making same, and uses thereof SIMON FRASER UNIVERSITY (CA) 2017-04-04 US disclosed
US-20130157984-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2013-06-20 US disclosed
US-20130157984-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2013-06-20 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 (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-20130157984-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF PTGES, PTGFR, PTGIS MAPT 4789/4885KDM4E 2945/4885ALDH1A1 1462/4885

“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.