SCHEMBL9987827

SCHEMBL9987827

CCOC(=O)C(C)(C)Sc1ccncc1Br

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 19/20 0.45
▸ TP53 P04637 1/20 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
SCHEMBL15159024 0.85 SLC22A12 (0.48) SLC22A12
SCHEMBL9994877 0.80 PIN1 (0.45) SLC22A12TP53
SCHEMBL16927379 0.80 SLC22A12 (0.66) SLC22A12
SCHEMBL10570182 0.77 TP53 (0.45) SLC22A12TP53
SCHEMBL16485890 0.76 LATS1 (0.40) —
SCHEMBL9988007 0.75 SLC22A12 (0.72) SLC22A12
SCHEMBL21350294 0.75 SLC22A12 (0.59) SLC22A12
SCHEMBL9987803 0.74 TP53 (0.49) SLC22A12TP53
SCHEMBL9993826 0.74 SLC22A12 (0.50) SLC22A12
SCHEMBL27907670 0.74 PIN1 (0.40) SLC22A12TP53

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103864677-B Thioacetic acid salt compound, compoistion and method of use ARDEA BIOSCIENCES, INC. (US) 2016-05-18 — — CN claimed
EP-2712861-B1 Thioacetate compounds, compositions and methods of use ARDEA BIOSCIENCES INC (US) 2015-07-29 — — EP claimed
CN-103864677-A THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC 2014-06-18 — — CN claimed
US-20210171466-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AREDEA BIOSCIENCES, INC. 2021-06-10 — — US disclosed
US-10919858-B2 Thioacetate compounds, compositions and methods of use ARDEA BIOSCIENCES, INC (US) 2021-02-16 — — US disclosed
US-10570095-B2 3,4-di-substituted pyridine compound, methods of using and compositions comprising the same ARDEA BIOSCIENCES, INC. (US) 2020-02-25 — — US disclosed
EP-3611167-A1 THIOACETATE COMPOUND AND METHODS OF USE Ardea Biosciences, Inc. (US) 2020-02-19 — — EP disclosed
EP-3611167-A1 THIOACETATE COMPOUND AND METHODS OF USE Ardea Biosciences, Inc. (US) 2020-02-19 — — EP disclosed
EP-3501520-A1 3,4-DI-SUBSTITUTED PYRIDINE COMPOUND, METHODS OF USING AND COMPOSITIONS COMPRISING THE SAME Ardea Biosciences, Inc. (US) 2019-06-26 — — EP disclosed
US-20190185431-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2019-06-20 — — US disclosed
US-20190135756-A1 3,4-DI-SUBSTITUTED PYRIDINE COMPOUND, METHODS OF USING AND COMPOSITIONS COMPRISING THE SAME ARDEA BIOSCIENCES, INC. 2019-05-09 — — US disclosed
US-20130202573-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2013-08-08 — — US disclosed
US-20130202573-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2013-08-08 — — US disclosed
US-20130202573-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2013-08-08 — — US disclosed
US-20130203779-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2013-08-08 — — US disclosed
US-20130203779-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2013-08-08 — — US disclosed
WO-2013067425-A1 3,4-DI-SUBSTITUTED PYRIDINE COMPOUND, METHODS OF USING AND COMPOSITIONS COMPRISING THE SAME ARDEA BIOSCIENCES INC. (US) 2013-05-10 — — WO disclosed
EP-2585437-A2 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Ardea Biosciences, Inc. (US) 2013-05-01 — — EP disclosed
WO-2011159839-A2 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-12-22 — — WO disclosed
WO-2011159839-A2 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-12-22 — — 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 (7 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-20130202573-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TXN, TXN2, XDH SLC22A12 757/4885TP53 1944/4885
US-10570095-B2 3,4-di-substituted pyridine compound, methods of using and compositions comprising the same PLPBP, XDH, TPMT SLC22A12 603/4885TP53 3324/4885
US-20210171466-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TXN, TXN2, XDH SLC22A12 757/4885TP53 1944/4885
US-20190135756-A1 3,4-DI-SUBSTITUTED PYRIDINE COMPOUND, METHODS OF USING AND COMPOSITIONS COMPRISING THE SAME PLPBP, XDH, TPMT SLC22A12 603/4885TP53 3324/4885
US-10919858-B2 Thioacetate compounds, compositions and methods of use TXN, TXN2, XDH SLC22A12 757/4885TP53 1944/4885
US-20130203779-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TXN, TXN2, XDH SLC22A12 757/4885TP53 1944/4885
US-20190185431-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TXN, TXN2, XDH SLC22A12 757/4885TP53 1944/4885

“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.

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