SCHEMBL9987800

SCHEMBL9987800

CC(C)(Sc1ncccc1-c1ccc(C#N)c2ccccc12)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 20/20 1.00
▸ SLC22A6 Q4U2R8 2/20 0.64
▸ SLC22A11 Q9NSA0 1/20 0.64
▸ ABCG2 Q9UNQ0 1/20 0.51

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
SCHEMBL12070773 0.86 SLC22A12 (0.76) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL9987685 0.86 SLC22A12 (0.75) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL9987734 0.84 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL12070371 0.83 SLC22A12 (0.71) SLC22A12SLC22A6SLC22A11
SCHEMBL12070368 0.82 SLC22A12 (0.69) SLC22A12SLC22A6SLC22A11
SCHEMBL12071486 0.80 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11
SCHEMBL12070770 0.79 SLC22A12 (0.69) SLC22A12
Verinurad SCHEMBL29362845 0.78 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11ABCG2
Verinurad SCHEMBL12070797 0.78 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL12070364 0.77 SLC22A12 (0.67) SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171466-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AREDEA BIOSCIENCES, INC. 2021-06-10 — — US disclosed
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-10919858-B2 Thioacetate compounds, compositions and methods of use ARDEA BIOSCIENCES, INC (US) 2021-02-16 — — 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
US-20190185431-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2019-06-20 — — US disclosed
US-20190185431-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2019-06-20 — — US disclosed
US-10266493-B2 Thioacetate compounds, compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2019-04-23 — — US disclosed
US-10266493-B2 Thioacetate compounds, compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2019-04-23 — — US disclosed
US-8541589-B2 Thioacetate compounds, compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2013-09-24 — — 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
US-20130203779-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-20130202573-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2013-08-08 — — US 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 (6 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 757/4885SLC22A6 477/4885SLC22A11 594/4885
US-10266493-B2 Thioacetate compounds, compositions and methods of use TXN, TXN2, XDH SLC22A12 757/4885SLC22A6 477/4885SLC22A11 594/4885
US-20210171466-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TXN, TXN2, XDH SLC22A12 757/4885SLC22A6 477/4885SLC22A11 594/4885
US-10919858-B2 Thioacetate compounds, compositions and methods of use TXN, TXN2, XDH SLC22A12 757/4885SLC22A6 477/4885SLC22A11 594/4885
US-20130203779-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TXN, TXN2, XDH SLC22A12 757/4885SLC22A6 477/4885SLC22A11 594/4885
US-20190185431-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TXN, TXN2, XDH SLC22A12 757/4885SLC22A6 477/4885SLC22A11 594/4885

“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.

Send feedback