SCHEMBL3457412

SCHEMBL3457412

Cc1c(C#N)ccc(C(=O)O)c1F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
AR P10275 1/20 0.39
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ASPH Q12797 1/20 0.37
KDM8 Q8N371 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37

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
SCHEMBL3455993 0.86 NOTUM (0.49) NOTUMARXDHSLC22A12TAS2R14
SCHEMBL289275 0.83 NOTUM (0.46) NOTUMKDM4EASPHKDM8TAS2R14
SCHEMBL3111073 0.83 AR (0.42) NOTUMARXDHSLC22A12KDM4E
SCHEMBL17201308 0.80 GRM1 (0.47) NOTUMXDHSLC22A12KDM4E
SCHEMBL26087614 0.79 NOTUM (0.46) NOTUMKDM4E
SCHEMBL17363184 0.79 GABRP (0.41) NOTUMXDHSLC22A12KDM4ETAS2R14
SCHEMBL27666816 0.76 XDH (0.38) NOTUMXDHSLC22A12KDM4E
SCHEMBL2990213 0.76 XDH (0.44) NOTUMXDHSLC22A12KDM4E
SCHEMBL13216259 0.76 AR (0.44) AR
SCHEMBL23699537 0.75 XDH (0.37) NOTUMXDHSLC22A12KDM4E

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-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
EP-2250165-A1 TRIAZOLE OXADIAZOLES DERIVATIVES Merck Serono S.A. (CH) 2010-11-17 EP disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 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-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 NOTUM 4794/4885AR 1309/4885XDH 45/4885

“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.