SCHEMBL1965128

SCHEMBL1965128

Fc1ccc(-c2nc(-c3ccc(N4CCC(F)(F)CC4)c(C(F)(F)F)c3)no2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.55
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NOTUM Q6P988 3/20 0.41
PSMD11 O00231 1/20 0.41
GRM5 P41594 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
SCHEMBL1963442 0.86 S1PR1 (0.56) S1PR1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL2344206 0.78 DYRK3 (0.66) S1PR1PDE3BPDE3A
Acetic Acid SCHEMBL1967759 0.76 DYRK3 (0.66) S1PR1PDE3BPDE3A
Acetic Acid SCHEMBL1967764 0.76 DYRK3 (0.66) S1PR1PDE3BPDE3A
Acetic Acid SCHEMBL2340479 0.76 DYRK3 (0.66) S1PR1PDE3BPDE3A
Acetic Acid SCHEMBL1967757 0.76 DYRK3 (0.66) S1PR1PDE3BPDE3A
SCHEMBL12581648 0.76 S1PR1 (0.52) S1PR1TP53NOTUM
SCHEMBL2340483 0.75 DYRK3 (0.58) S1PR1PDE3BPDE3A
SCHEMBL1967762 0.75 DYRK3 (0.58) S1PR1PDE3BPDE3A
SCHEMBL1966543 0.74 S1PR1 (0.49) S1PR1PDE3BPDE3ANOTUM

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
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 S1PR1 2/4885PDE3B 214/4885PDE3A 220/4885

“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.