SCHEMBL1963231

SCHEMBL1963231

NC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.68
C1S P09871 1/20 0.51
MAPK1 P28482 3/20 0.49
PLK4 O00444 1/20 0.49
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
DAPK3 O43293 1/20 0.49
CHEK2 O96017 1/20 0.49
CDK1 P06493 1/20 0.49
CSF1R P07333 1/20 0.49
PIM1 P11309 1/20 0.49
FGFR1 P11362 1/20 0.49
PRKACA P17612 1/20 0.49
FLT1 P17948 1/20 0.49
FGFR3 P22607 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CDK2 P24941 1/20 0.49
MARK3 P27448 1/20 0.49
AKT1 P31749 1/20 0.49
FLT4 P35916 1/20 0.49

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
SCHEMBL404394 0.87 PLK1 (0.71) PLK1C1SMAPK1PLK4AURKA
Hydrochloric Acid SCHEMBL8186534 0.86 PLK1 (0.69) PLK1C1SMAPK1PLK4AURKA
SCHEMBL6925254 0.84 C1S (0.68) PLK1C1SS1PR1DGAT1NTRK1
SCHEMBL3054006 0.84 PLK1 (0.68) PLK1C1SMAPK1S1PR1DGAT1
SCHEMBL1799551 0.84 PLK1 (0.72) PLK1C1SMAPK1S1PR1DGAT1
SCHEMBL1962831 0.82 PLK1 (0.57) PLK1C1SMAPK1S1PR1DGAT1
SCHEMBL1962825 0.82 PLK1 (0.57) PLK1C1SMAPK1S1PR1DGAT1
SCHEMBL403196 0.81 PLK1 (0.71) PLK1C1SMAPK1S1PR1DGAT1
SCHEMBL6368922 0.79 MAPK1 (0.52) PLK1MAPK1PLK4CHEK1AURKA
SCHEMBL8189536 0.79 PLK1 (0.60) PLK1C1SMAPK1S1PR1DGAT1

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
CN-102762102-A Novel oxadiazole compounds ABBOTT LAB 2012-10-31 CN disclosed
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

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 PLK1 646/4885C1S 4365/4885MAPK1 2258/4885

“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.