Sugi Predict

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SCHEMBL2025964

SCHEMBL2025964

Cc1cc(Oc2ccccc2)cc(OS(=O)(=O)C(F)(F)F)c1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TTR P02766 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ EPAS1 Q99814 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PGR P06401 3/20 0.34
▸ NR3C1 P04150 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
SCHEMBL12582104 0.90 L3MBTL1 (0.41) PTGS1HTTGAAKMT2AEPAS1
SCHEMBL2028163 0.86 MAOB (0.44) KMT2AERN1PDK1PDK2PDK3
SCHEMBL12642054 0.83 LTA4H (0.39) SMN1; SMN2PPARGALDH1A1
SCHEMBL20607722 0.83 NPC1 (0.44) SMN1; SMN2CA1CA2CA9KMT2A
SCHEMBL2028440 0.80 TTR (0.51) HTTSMN1; SMN2TTRLMNAGAA
SCHEMBL756286 0.80 LMNA (0.46) HTTSMN1; SMN2TTRLMNACA1
SCHEMBL12581630 0.79 NR3C1 (0.34) SMN1; SMN2CA1CA2CA9KMT2A
SCHEMBL1252245 0.78 CXCR2 (0.34) CA1CA2EPAS1PGRNR3C1
SCHEMBL28668425 0.76 LMNA (0.44) PTGS1PTGS2HTTSMN1; SMN2TTR
SCHEMBL12586745 0.75 HTR1D (0.33) PGRNR3C1NR3C2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343944-B2 Trisubstituted boron-containing molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-01-01 — — US disclosed
US-8343944-B2 Trisubstituted boron-containing molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-01-01 — — US disclosed
US-8343944-B2 Trisubstituted boron-containing molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-01-01 — — US disclosed
EP-2458995-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES Anacor Pharmaceuticals, Inc. (US) 2012-06-06 — — EP disclosed
US-20110136763-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-06-09 — — US disclosed
US-20110136763-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-06-09 — — US disclosed
US-20110136763-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-06-09 — — US 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-20110136763-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES BCL6B, BCL6, BLK PTGS1 3978/4885PTGS2 3671/4885HTT 3769/4885

“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.