Sugi Predict

Sugi Predict / Compounds / SCHEMBL2517645

SCHEMBL2517645

SCHEMBL2517645

O=S(=O)([O-])c1cc2ccccc2c(S(=O)(=O)[O-])c1O.O=S(=O)([O-])c1cc2ccccc2c(S(=O)(=O)[O-])c1O.O=S(=O)([O-])c1cc2ccccc2c(S(=O)(=O)[O-])c1O.[Al+3].[Al+3]

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.45
▸ PKLR P30613 3/20 0.43
▸ PTPN1 P18031 2/20 0.43
▸ PGAM1 P18669 2/20 0.43
▸ THRB P10828 1/20 0.42
▸ CASP6 P55212 1/20 0.39
▸ DUSP5 Q16690 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ MPL P40238 1/20 0.38
▸ NR1I2 O75469 1/20 0.37
▸ CTRB1 P17538 1/20 0.36
▸ TRPM4 Q8TD43 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ TTR P02766 1/20 0.36

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
Potassium Ion SCHEMBL11148013 0.86 CYP2D6 (0.56) CYP2D6PGAM1THRBCASP6ALDH1A1
SCHEMBL6692792 0.81 CYP2D6 (0.46) CYP2D6PKLRPTPN1THRBCASP6
SCHEMBL1247909 0.81 NR1I2 (0.43) CYP2D6PKLRPTPN1PGAM1THRB
SCHEMBL29421867 0.81 NR1I2 (0.43) CYP2D6PKLRPTPN1PGAM1THRB
SCHEMBL30108922 0.81 NR1I2 (0.40) CYP2D6PKLRTHRBDUSP5ALDH1A1
SCHEMBL31214953 0.81 NR1I2 (0.40) CYP2D6PKLRTHRBDUSP5ALDH1A1
Potassium Ion SCHEMBL30108900 0.81 NR1I2 (0.40) CYP2D6PKLRTHRBDUSP5ALDH1A1
SCHEMBL30108867 0.81 NR1I2 (0.40) CYP2D6PKLRTHRBDUSP5ALDH1A1
Lithium Ion SCHEMBL31214922 0.81 NR1I2 (0.40) CYP2D6PKLRTHRBDUSP5ALDH1A1
SCHEMBL30108861 0.81 NR1I2 (0.40) CYP2D6PKLRTHRBDUSP5ALDH1A1

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-20040223932-A1 Adhesive treatment for acne CLOSURE MEDICAL CORPORATION 2004-11-11 — — US claimed
US-8034740-B2 Adsorptivity imparting agent containing porous silica TAIYO KAGAKU CO., LTD. (JP) 2011-10-11 — — US disclosed
US-20070166438-A1 Adsorptivity imparting agent containing porous silica KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2007-07-19 — — US disclosed
JP-2005162635-A ANTIPERSPIRANT AND DEODORANT COMPOSITION NOEVIR CO LTD 2005-06-23 — — JP disclosed
US-20040223932-A1 Adhesive treatment for acne CLOSURE MEDICAL CORPORATION 2004-11-11 — — US disclosed
JP-2004161622-A AQUEOUS STICKLIKE ANTIPERSPIRANT COMPOSITION NOEVIR CO LTD 2004-06-10 — — JP disclosed
EP-0348091-B1 Aerosol composition SHISEIDO CO LTD (JP) 1994-01-12 — — EP disclosed
US-5223244-A Undissolved composite powder with polymer core and attached sheath, non-chlorofluorocarbon propellant SHISEIDO COMPANY, LTD. (JP) 1993-06-29 — — 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-20040223932-A1 Adhesive treatment for acne CUTA, KRT18, COL14A1 CYP2D6 4829/4885PKLR 3139/4885PTPN1 4055/4885

“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.