SCHEMBL3274515

SCHEMBL3274515

N=C(NO)c1ccc(S(N)(=O)=O)c(OC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.36
PTGES2 Q9H7Z7 2/20 0.36
PTPN1 P18031 1/20 0.36
ALPL P05186 4/20 0.36
PKM P14618 1/20 0.34
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
SCN9A Q15858 1/20 0.33
ENPP2 Q13822 1/20 0.33
WDR5 P61964 1/20 0.33

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
SCHEMBL4038506 0.77 HDAC1 (0.39) PTGES2ENPP2
SCHEMBL1542154 0.75 ALPL (0.52) PTGES2PTPN1ALPLHSD17B1HSD17B2
SCHEMBL29843178 0.75 ALPL (0.52) PTGES2PTPN1ALPLHSD17B1HSD17B2
SCHEMBL2326796 0.74 EPHX2 (0.49)
SCHEMBL5527636 0.73 HDAC6 (0.38) PKM
SCHEMBL2327744 0.73 SCN9A (0.39) SCN9A
SCHEMBL5628428 0.72 CDC25B (0.45) PKM
SCHEMBL4407236 0.72 HDAC1 (0.45)
SCHEMBL4619724 0.71 CA1 (0.35) PKM
SCHEMBL28856969 0.70 CA2 (0.41) PTGES2PTPN1ALPLENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087491-A1 POLYCYCLIC COMPOUNDS NOVARTIS AG (CH) 2010-04-08 US disclosed
CN-101522646-A Oxadiazole derivatives having anti-inflammatory and immunosuppressive properties NOVARTIS AG (CH) 2009-09-02 CN disclosed
EP-2081916-A1 OXADIAZOLE DERIVATIVES WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE PROPERTIES Novartis AG (CH) 2009-07-29 EP disclosed
WO-2008037476-A1 OXADIAZOLE DERIVATIVES WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE PROPERTIES NOVARTIS AG (CH) 2008-04-03 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-20100087491-A1 POLYCYCLIC COMPOUNDS CD4, HLA-DRB1, MALT1 MRGPRX1 371/4885PTGES2 1147/4885PTPN1 757/4885

“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.