SCHEMBL3753146

SCHEMBL3753146

COCc1c(-c2nc(-c3cccc(S(N)(=O)=O)c3)no2)nnn1-c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 11/20 0.50
CA2 P00918 11/20 0.50
CA12 O43570 7/20 0.50
CA1 P00915 7/20 0.50
S1PR1 P21453 1/20 0.47
CA4 P22748 1/20 0.45
TP53 P04637 4/20 0.42
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL3748432 0.92 S1PR1 (0.55) CA9CA2CA12CA1S1PR1
SCHEMBL10181600 0.91 S1PR1 (0.48) CA9CA2CA12CA1S1PR1
SCHEMBL3760776 0.91 CA9 (0.47) CA9CA2CA12CA1S1PR1
SCHEMBL10181814 0.85 TP53 (0.42) CA9CA2CA12CA1S1PR1
SCHEMBL3763187 0.85 MAPT (0.49) S1PR1TP53MAPTNPC1RAB9A
SCHEMBL10180292 0.85 TP53 (0.54) CA9CA2TP53MAPTNPC1
SCHEMBL3455783 0.82 TP53 (0.43) S1PR1TP53MAPTNPC1RAB9A
SCHEMBL3760886 0.82 PPARA (0.45) S1PR1TP53MAPTNPC1RAB9A
SCHEMBL10179953 0.81 RAB9A (0.47) S1PR1TP53MAPTNPC1RAB9A
SCHEMBL3766252 0.81 TP53 (0.42) S1PR1TP53MAPTNPC1RAB9A

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 11 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-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
CN-101918395-B Triazole oxadiazole derivatives MERCK SERONO SA 2014-04-16 CN disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
CN-101918395-A Triazole oxadiazole derivatives MERCK SERONO SA 2010-12-15 CN disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US 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 CA9 2884/4885CA2 3172/4885CA12 3383/4885

“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.