SCHEMBL4933930

SCHEMBL4933930

O=C1c2ccc(-c3cccs3)cc2C(=O)C1(O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 1/20 0.54
PDK2 Q15119 1/20 0.50
CA1 P00915 7/20 0.47
CA2 P00918 7/20 0.47
CA7 P43166 7/20 0.47
CA9 Q16790 7/20 0.47
CA4 P22748 3/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
RECQL P46063 1/20 0.46
BACE1 P56817 1/20 0.46
EHMT2 Q96KQ7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ERN1 O75460 1/20 0.45
KCNH2 Q12809 1/20 0.45
PGR P06401 2/20 0.43
HDAC1 Q13547 4/20 0.40

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
SCHEMBL13211693 0.78 CA1 (0.65) CA1CA2CA7CA9CA4
SCHEMBL30512416 0.78 SLC6A11 (0.61) SLC6A11PDK2L3MBTL1ERN1KCNH2
SCHEMBL21580251 0.78 SLC6A11 (0.61) SLC6A11PDK2L3MBTL1ERN1KCNH2
SCHEMBL3026783 0.77 CA1 (0.63) CA1CA2CA7CA9CA4
SCHEMBL3022202 0.77 CA1 (0.63) CA1CA2CA7CA9CA4
SCHEMBL3025357 0.75 CA1 (0.57) CA1CA2CA7CA9CA4
SCHEMBL3022167 0.75 CA1 (0.61) CA1CA2CA7CA9CA4
SCHEMBL27554974 0.75 SLC6A11 (0.58) SLC6A11PDK2ALDH1A1TSHRMAPK1
SCHEMBL14027633 0.74 CA1 (0.59) PDK2CA1CA2CA7CA9
SCHEMBL4929877 0.73 CA1 (0.41) SLC6A11PDK2CA1CA2CA7

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-20080248583-A1 Quantitative and Qualitative Chelation Measuring Methods and Materials ALBION LABORATORIES, INC. (US) 2008-10-09 US claimed
WO-2006034195-A2 QUANTITATIVE AND QUALITATIVE CHELATION MEASURING METHODS AND MATERIALS ALBION LABORATORIES, INC. (US) 2006-03-30 WO claimed
US-20080248583-A1 Quantitative and Qualitative Chelation Measuring Methods and Materials ALBION LABORATORIES, INC. (US) 2008-10-09 US disclosed
US-20080248583-A1 Quantitative and Qualitative Chelation Measuring Methods and Materials ALBION LABORATORIES, INC. (US) 2008-10-09 US disclosed
US-20080248583-A1 Quantitative and Qualitative Chelation Measuring Methods and Materials ALBION LABORATORIES, INC. (US) 2008-10-09 US disclosed
WO-2006034195-A2 QUANTITATIVE AND QUALITATIVE CHELATION MEASURING METHODS AND MATERIALS ALBION LABORATORIES, INC. (US) 2006-03-30 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-20080248583-A1 Quantitative and Qualitative Chelation Measuring Methods and Materials AAAS, LIG4, HAMP SLC6A11 3433/4885PDK2 4452/4885CA1 1739/4885

“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.