SCHEMBL14926465

SCHEMBL14926465

Cc1cc(-c2nc(-c3ccccc3)no2)ccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.74
S1PR3 Q99500 4/20 0.62
NPC1 O15118 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51

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
SCHEMBL27904564 0.91 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL14926463 0.90 S1PR1 (0.76) S1PR1S1PR3
SCHEMBL320163 0.90 S1PR1 (0.67) S1PR1S1PR3NPC1RAB9A
SCHEMBL319532 0.88 S1PR1 (0.65) S1PR1S1PR3
Hydrochloric Acid SCHEMBL27904558 0.87 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL3756364 0.86 S1PR1 (0.84) S1PR1NPC1RAB9A
SCHEMBL12997814 0.86 S1PR1 (0.74) S1PR1S1PR3NPC1NFKB1RAB9A
SCHEMBL14926437 0.86 S1PR1 (0.70) S1PR1NPC1NFKB1RAB9ANFKB2
SCHEMBL2771786 0.85 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL3761602 0.85 S1PR1 (1.00) S1PR1S1PR3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029405-B2 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate(SIP)receptors MERCK SERONO S.A. (CH) 2015-05-12 US disclosed
US-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS MERCK SERONO S.A. (CH) 2013-05-09 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-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR3 4/4885NPC1 601/4885

“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.