SCHEMBL17779688

SCHEMBL17779688

O=C(O)CCN1C(=O)/C(=C/c2cc(O)c(O)c(Cl)c2)SC1=S

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 2/20 0.64
▸ MAOA P21397 1/20 0.64
▸ TAS2R14 Q9NYV8 2/20 0.63
▸ PPARG P37231 1/20 0.62
▸ KMT2A Q03164 5/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ POLB P06746 2/20 0.61
▸ USP2 O75604 1/20 0.61
▸ GALK1 P51570 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ KDM4E B2RXH2 2/20 0.60
▸ HTT P42858 1/20 0.60
▸ FABP4 P15090 1/20 0.58
▸ MAPT P10636 4/20 0.57
▸ NCOA3 Q9Y6Q9 3/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ MITF O75030 2/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ KLKB1 P03952 1/20 0.54
▸ AKR1B1 P15121 2/20 0.53

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
SCHEMBL20837917 0.94 CISD1 (0.68) CISD1MAOATAS2R14PPARGKMT2A
SCHEMBL6884111 0.92 CISD1 (0.71) CISD1MAOATAS2R14PPARGKMT2A
SCHEMBL6884108 0.92 CISD1 (0.71) CISD1MAOATAS2R14PPARGKMT2A
SCHEMBL17769003 0.89 KMT2A (0.64) KMT2AMEN1POLBUSP2GALK1
SCHEMBL20837918 0.88 KMT2A (0.65) CISD1MAOATAS2R14PPARGKMT2A
SCHEMBL17779685 0.87 TAS2R14 (0.66) CISD1MAOATAS2R14PPARGKMT2A
SCHEMBL17768964 0.86 CISD1 (0.73) CISD1MAOATAS2R14PPARGKMT2A
SCHEMBL17779684 0.85 CISD1 (0.68) CISD1MAOATAS2R14PPARGKMT2A
SCHEMBL12008490 0.84 CISD1 (0.70) CISD1MAOATAS2R14PPARGKMT2A
SCHEMBL6884144 0.83 KDM4E (0.69) CISD1MAOATAS2R14KMT2AMEN1

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 10 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
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 CISD1 1263/4885MAOA 2036/4885TAS2R14 905/4885
US-20220267286-A2 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF TTR, TTPA, MTPN CISD1 1121/4885MAOA 2606/4885TAS2R14 1025/4885
US-20190092737-A1 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF TTR, TTPA, MTPN CISD1 1263/4885MAOA 2036/4885TAS2R14 905/4885
US-11584727-B2 2-thioxothiazolidin-4-one derivatives active as transthyretin ligands and uses thereof TTR, TTPA, MTPN CISD1 1121/4885MAOA 2606/4885TAS2R14 1025/4885
US-20220041566-A1 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF TTR, TTPA, MTPN CISD1 1121/4885MAOA 2606/4885TAS2R14 1025/4885

“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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