SCHEMBL3280997

SCHEMBL3280997

CCN(CC)c1c(Cl)ccc(P)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.35
NOTUM Q6P988 4/20 0.34
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 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
SCHEMBL3280186 0.71 NOTUM (0.47) NOTUM
SCHEMBL14860191 0.71 S1PR1 (0.34) S1PR1
SCHEMBL2268565 0.69
SCHEMBL3281343 0.68 GABRA2 (0.35)
SCHEMBL24985318 0.66 S1PR1 (0.41) S1PR1
SCHEMBL3280536 0.65 SRC (0.32)
SCHEMBL3842027 0.64 S1PR1 (0.32) S1PR1
SCHEMBL29212162 0.63 ALDH1A1 (0.40)
SCHEMBL3836834 0.62 S1PR1 (0.33) S1PR1
SCHEMBL2102108 0.59 KDM4E (0.37) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704468-B1 Method for forming an extraction agent for the separation of actinides from lanthanides BATTELLE ENERGY ALLIANCE, LLC (US) 2010-04-27 US claimed
US-20100094042-A1 METHOD FOR FORMING AN EXTRACTION AGENT FOR THE SEPARATION OF ACTINIDES FROM LANTHANIDES BATTELLE ENERGY ALLIANCE, LLC 2010-04-15 US claimed
WO-2007037995-A2 EXTRACTION AGENT AND METHOD FOR FORMING AN EXTRACTION AGENT FOR THE SEPARATION OF ACTINIDES FROM LANTHANIDES BATTELLE ENERGY ALLIANCE, LLC (US) 2007-04-05 WO claimed
US-7704468-B1 Method for forming an extraction agent for the separation of actinides from lanthanides BATTELLE ENERGY ALLIANCE, LLC (US) 2010-04-27 US disclosed
US-20100094042-A1 METHOD FOR FORMING AN EXTRACTION AGENT FOR THE SEPARATION OF ACTINIDES FROM LANTHANIDES BATTELLE ENERGY ALLIANCE, LLC 2010-04-15 US disclosed
WO-2007037995-A2 EXTRACTION AGENT AND METHOD FOR FORMING AN EXTRACTION AGENT FOR THE SEPARATION OF ACTINIDES FROM LANTHANIDES BATTELLE ENERGY ALLIANCE, LLC (US) 2007-04-05 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-20100094042-A1 METHOD FOR FORMING AN EXTRACTION AGENT FOR THE SEPARATION OF ACTINIDES FROM LANTHANIDES GLA, PPIP5K2, DDOST S1PR1 1578/4885NOTUM 900/4885NR1H2 4466/4885

“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.