SCHEMBL17769046

SCHEMBL17769046

COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(C)c1O

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 3/20 0.70
▸ KLKB1 P03952 1/20 0.66
▸ CTNNB1 P35222 3/20 0.64
▸ TCF4 P15884 1/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ MAPT P10636 1/20 0.64
▸ NCOA3 Q9Y6Q9 1/20 0.64
▸ FABP4 P15090 1/20 0.62
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ PSMD14 O00487 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ PAX8 Q06710 1/20 0.60
▸ CISD1 Q9NZ45 2/20 0.59
▸ MAOA P21397 1/20 0.59
▸ TCF7L2 Q9NQB0 1/20 0.59
▸ CTDSP1 Q9GZU7 1/20 0.58
▸ DDX3X O00571 1/20 0.58

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
SCHEMBL12008449 0.94 TAS2R14 (0.76) TAS2R14KLKB1CTNNB1TCF4ALDH1A1
SCHEMBL7251139 0.90 TAS2R14 (0.70) TAS2R14KLKB1CTNNB1TCF4ALDH1A1
SCHEMBL7251137 0.90 TAS2R14 (0.70) TAS2R14KLKB1CTNNB1TCF4ALDH1A1
SCHEMBL12008531 0.90 TAS2R14 (0.70) TAS2R14KLKB1CTNNB1TCF4ALDH1A1
SCHEMBL17779690 0.90 AKR1B1 (0.63) ALDH1A1MAPTMEN1KMT2APSMD14
SCHEMBL20837934 0.90 AKR1B1 (0.63) ALDH1A1MAPTMEN1KMT2APSMD14
SCHEMBL12008741 0.89 KLKB1 (0.77) TAS2R14KLKB1CTNNB1TCF4ALDH1A1
SCHEMBL12008747 0.88 TAS2R14 (0.78) TAS2R14KLKB1CTNNB1TCF4ALDH1A1
SCHEMBL12008469 0.88 CTNNB1 (0.79) TAS2R14KLKB1CTNNB1TCF4ALDH1A1
SCHEMBL12008560 0.88 TAS2R14 (0.64) TAS2R14KLKB1CTNNB1TCF4ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584727-B2 2-thioxothiazolidin-4-one derivatives active as transthyretin ligands and uses thereof BSIM THERAPEUTICS, S.A. (PT) 2023-02-21 — — US disclosed
US-11584727-B2 2-thioxothiazolidin-4-one derivatives active as transthyretin ligands and uses thereof BSIM THERAPEUTICS, S.A. (PT) 2023-02-21 — — US disclosed
US-20220267286-A2 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF BSIM THERAPEUTICS, S.A. (PT) 2022-08-25 — — US disclosed
EP-4029859-A1 2-OXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF BSIM THERAPEUTICS, S.A. (PT) 2022-07-20 — — EP disclosed
US-20220041566-A1 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF BSIM THERAPEUTICS, S.A. (PT) 2022-02-10 — — US disclosed
US-11117877-B2 2-thioxothiazolidin-4-one derivatives active as transthyretin ligands and uses thereof BSIM THERAPEUTICS, S.A. (PT) 2021-09-14 — — US disclosed
US-11117877-B2 2-thioxothiazolidin-4-one derivatives active as transthyretin ligands and uses thereof BSIM THERAPEUTICS, S.A. (PT) 2021-09-14 — — US disclosed
US-20190092737-A1 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF BSIM2 - Biomolecular Simulations Lda. (PT) 2019-03-28 — — US disclosed
US-20190092737-A1 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF BSIM2 - Biomolecular Simulations Lda. (PT) 2019-03-28 — — US disclosed
EP-3221299-A1 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF BSIM2 Biomolecular Simulations Lda. (PT) 2017-09-27 — — EP disclosed
WO-2016080853-A1 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF BSIM2 – BIOMOLECULAR SIMULATIONS LDA (PT) 2016-05-26 — — WO disclosed
WO-2016080853-A1 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF BSIM2 – BIOMOLECULAR SIMULATIONS LDA (PT) 2016-05-26 — — 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 (5 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-11117877-B2 2-thioxothiazolidin-4-one derivatives active as transthyretin ligands and uses thereof TTR, TTPA, MTPN TAS2R14 905/4885KLKB1 3911/4885CTNNB1 1638/4885
US-20220267286-A2 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF TTR, TTPA, MTPN TAS2R14 1025/4885KLKB1 3832/4885CTNNB1 1696/4885
US-20190092737-A1 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF TTR, TTPA, MTPN TAS2R14 905/4885KLKB1 3911/4885CTNNB1 1638/4885
US-11584727-B2 2-thioxothiazolidin-4-one derivatives active as transthyretin ligands and uses thereof TTR, TTPA, MTPN TAS2R14 1025/4885KLKB1 3832/4885CTNNB1 1696/4885
US-20220041566-A1 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF TTR, TTPA, MTPN TAS2R14 1025/4885KLKB1 3832/4885CTNNB1 1696/4885

“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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