SCHEMBL1963442

SCHEMBL1963442

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.56
GRM5 P41594 1/20 0.46
TP53 P04637 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NOTUM Q6P988 2/20 0.44
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL12581648 0.90 S1PR1 (0.52) S1PR1TP53NOTUMGAAPOLB
SCHEMBL1967913 0.87 S1PR1 (0.49) S1PR1TP53NOTUMGAAPOLB
SCHEMBL1966543 0.87 S1PR1 (0.49) S1PR1NOTUMMAPT
SCHEMBL1965128 0.86 S1PR1 (0.55) S1PR1GRM5TP53NPC1RAB9A
SCHEMBL1965114 0.81 S1PR1 (0.45) S1PR1
SCHEMBL12391416 0.80 S1PR1 (0.48) S1PR1
SCHEMBL1966474 0.80 S1PR1 (0.43) S1PR1
SCHEMBL1966293 0.80 S1PR1 (0.64) S1PR1
SCHEMBL1964749 0.80 S1PR1 (0.43) S1PR1
SCHEMBL1962845 0.80 S1PR1 (0.43) 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
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 2/4885GRM5 289/4885TP53 4155/4885

“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.