SCHEMBL9987724

SCHEMBL9987724

CCOC(=O)C(C)(C)Sc1cccnc1-c1ccc(C#N)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 8/20 0.73
▸ TRPV1 Q8NER1 2/20 0.43
▸ ELANE P08246 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ TP53 P04637 2/20 0.37
▸ TDP2 O95551 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 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
SCHEMBL9988426 0.85 SLC22A12 (1.00) SLC22A12TRPV1
SCHEMBL9994198 0.83 SLC22A12 (0.49) SLC22A12ELANECNR2HRH2HRH1
SCHEMBL17899837 0.81 SLC22A12 (0.54) SLC22A12ELANECNR2FNTAFNTB
SCHEMBL17899844 0.79 SLC22A12 (0.47) SLC22A12ELANECNR2TP53HRH2
SCHEMBL9988001 0.79 SLC22A12 (0.72) SLC22A12
SCHEMBL9988007 0.79 SLC22A12 (0.72) SLC22A12
SCHEMBL18105594 0.77 SLC22A12 (0.75) SLC22A12ELANECNR2TP53HRH2
SCHEMBL17899921 0.74 SLC22A12 (0.75) SLC22A12CNR2TP53HRH2HRH1
SCHEMBL19453011 0.74 SLC22A12 (0.48) SLC22A12CNR2TP53HRH2HRH1
SCHEMBL1464264 0.73 SLC22A12 (0.47) SLC22A12CNR2TP53

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 40 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-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
US-20130203779-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
CN-103068801-A Thioacetate compounds, compositions, and methods of use ARDEA BIOSCIENCES INC 2013-04-24 — — CN 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 757/4885TRPV1 4288/4885ELANE 38/4885
US-10266493-B2 Thioacetate compounds, compositions and methods of use TXN, TXN2, XDH SLC22A12 757/4885TRPV1 4288/4885ELANE 38/4885
US-20210171466-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TXN, TXN2, XDH SLC22A12 757/4885TRPV1 4288/4885ELANE 38/4885
US-10919858-B2 Thioacetate compounds, compositions and methods of use TXN, TXN2, XDH SLC22A12 757/4885TRPV1 4288/4885ELANE 38/4885
US-20130203779-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TXN, TXN2, XDH SLC22A12 757/4885TRPV1 4288/4885ELANE 38/4885
US-20190185431-A1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TXN, TXN2, XDH SLC22A12 757/4885TRPV1 4288/4885ELANE 38/4885

“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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