Sugi Predict

Sugi Predict / Compounds / SCHEMBL5570901

SCHEMBL5570901

SCHEMBL5570901

C=CCS(=O)(=O)OCCCOS(=O)(=O)CC=C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 10/20 0.38
▸ CA9 Q16790 8/20 0.38
▸ CA1 P00915 9/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CA12 O43570 2/20 0.33
▸ CA3 P07451 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA6 P23280 2/20 0.33
▸ CA5A P35218 2/20 0.33
▸ CA7 P43166 2/20 0.33
▸ CA14 Q9ULX7 2/20 0.33
▸ CA5B Q9Y2D0 2/20 0.33

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
SCHEMBL5571536 0.95 CA2 (0.40) CA2CA9CA1KDM4EUSP2
SCHEMBL5572565 0.93 CA2 (0.42) CA2CA9CA1KDM4EUSP2
SCHEMBL5571069 0.93 CA2 (0.42) CA2CA9CA1KDM4EUSP2
SCHEMBL5570905 0.93 CA2 (0.42) CA2CA9CA1KDM4EUSP2
SCHEMBL5570908 0.93 CA2 (0.42) CA2CA9CA1KDM4EUSP2
SCHEMBL5571534 0.90 CA2 (0.41) CA2CA9
SCHEMBL27404409 0.87 CA2 (0.33) CA2CA9CA1KDM4EUSP2
SCHEMBL27956341 0.87 CA2 (0.33) CA2CA9CA1KDM4EUSP2
SCHEMBL9936301 0.87 CA2 (0.48) CA2CA9CA1KDM4EUSP2
SCHEMBL22129570 0.85 CA2 (0.47) CA2CA9CA1KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9496585-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2016-11-15 — — US disclosed
US-9496585-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2016-11-15 — — US disclosed
US-20130224578-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2013-08-29 — — US disclosed
US-20130224578-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2013-08-29 — — US disclosed
WO-2012053485-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE BATTERY USING SAME 三菱化学株式会社 (JP) 2012-04-26 — — WO disclosed
US-6787653-B2 REACTING, IN THE PRESENCE OF A METAL CATALYST, A HALOGENOBENZOIC ACID DERIVATIVE WITH BENZENE DERIVATIVE TO PRODUCE BIPHENYLDICARBOXYLIC ACID AMIDE DERIVATIVE KOWA CO., LTD. (JP) 2004-09-07 — — US disclosed
WO-2003104213-A1 PREPARATION PROCESS OF BIPHENYLCARBOXYLIC ACID AMIDE DERIVATIVES KOWA CO., LTD. (JP) 2003-12-18 — — WO disclosed
US-20030232992-A1 Preparation process of biphenylcarboxylic acid amide derivatives KOWA CO., LTD. (JP) 2003-12-18 — — 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-20030232992-A1 Preparation process of biphenylcarboxylic acid amide derivatives CD22, C9, FCGR1A CA2 42/4885CA9 162/4885CA1 37/4885

“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.