Sugi Predict

Sugi Predict / Compounds / SCHEMBL9901794

SCHEMBL9901794

SCHEMBL9901794

CS(=O)(=O)c1ccc(C(Cl)=Nc2ccccc2Cl)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ HTR3E A5X5Y0 2/20 0.37
▸ HTR3B O95264 2/20 0.37
▸ HTR3A P46098 2/20 0.37
▸ HTR3D Q70Z44 2/20 0.37
▸ HTR3C Q8WXA8 2/20 0.37
▸ RORC P51449 1/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ NOS3 P29474 2/20 0.34
▸ NOS1 P29475 2/20 0.34
▸ NOS2 P35228 2/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ FAAH O00519 2/20 0.34
▸ MGLL Q99685 2/20 0.34

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
SCHEMBL9901793 1.00 CA1 (0.39) CA1CA2CA4CA9HTR3E
SCHEMBL9926084 0.83 CA1 (0.41) CA1CA2CA4CA9HTR3E
SCHEMBL9926242 0.79 ESR1 (0.44) CA1CA2CA4CA9HTR3E
SCHEMBL15441016 0.79 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9926178 0.79 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9902069 0.77 PTGS2 (0.39) PTGS2MEN1KMT2A
SCHEMBL9902067 0.77 PTGS2 (0.39) PTGS2MEN1KMT2A
SCHEMBL15449879 0.74 RORC (0.33) CA1CA2CA4CA9RORC
SCHEMBL15449872 0.74 NOS3 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9926247 0.73 RORC (0.39) RORCPTGS2FAAHMGLLESR1

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
US-9403812-B2 Triazole derivatives as Wnt signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2016-08-02 — — US disclosed
US-20150322057-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2015-11-12 — — US disclosed
US-9096587-B2 Triazole derivatives as Wnt signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2015-08-04 — — US disclosed
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO University Hospital, HF (NO) 2014-01-30 — — US disclosed
EP-2649063-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS Oslo University Hospital HF (NO) 2013-10-16 — — EP disclosed
WO-2012076898-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2012-06-14 — — 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 (2 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-20150322057-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS CTNNB1, WNT1, CTNNA1 CA1 3704/4885CA2 3823/4885CA4 4044/4885
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS CTNNB1, WNT1, CTNNA1 CA1 3547/4885CA2 3751/4885CA4 3860/4885

“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.