SCHEMBL3457023

SCHEMBL3457023

CCOC(=O)c1nnn(-c2ccccc2F)c1C(C)C

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 15/20 0.59
SLC5A2 P31639 15/20 0.59
NPSR1 Q6W5P4 2/20 0.57
TP53 P04637 1/20 0.55
ALOX12 P18054 1/20 0.55
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL25767433 0.88 TP53 (0.67) SLC5A1SLC5A2NPSR1TP53ALOX12
SCHEMBL2217219 0.82 HTT (0.49) SLC5A1SLC5A2NPSR1TP53ALOX12
SCHEMBL23771920 0.81 NPSR1 (0.57) SLC5A1SLC5A2NPSR1TP53ALOX12
SCHEMBL3455812 0.79 NPSR1 (0.55) SLC5A1SLC5A2NPSR1TP53ALOX12
SCHEMBL3455838 0.78 ALDH1A1 (0.57) NPSR1TP53ALOX12ALDH1A1MAPT
SCHEMBL3455998 0.77 NPSR1 (0.53) SLC5A1SLC5A2NPSR1TP53ALOX12
SCHEMBL3457264 0.77 CA1 (0.63) SLC5A1SLC5A2NPSR1TP53ALOX12
SCHEMBL3455348 0.75 NPSR1 (0.50) SLC5A1SLC5A2NPSR1TP53ALOX12
SCHEMBL17321555 0.75 TP53 (0.71) SLC5A1SLC5A2NPSR1TP53ALOX12
SCHEMBL17321491 0.75 MAPT (0.47) NPSR1TP53ALOX12MAPT

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 5 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
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 SLC5A1 2602/4885SLC5A2 3263/4885NPSR1 1081/4885

“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.