SCHEMBL20837903

SCHEMBL20837903

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

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.75
▸ KMT2A Q03164 7/20 0.75
▸ POLB P06746 4/20 0.75
▸ PSMD14 O00487 1/20 0.65
▸ AKR1B1 P15121 4/20 0.62
▸ PTPN1 P18031 1/20 0.60
▸ PDE4B Q07343 1/20 0.59
▸ USP2 O75604 1/20 0.58
▸ GALK1 P51570 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ GFER P55789 2/20 0.57
▸ CASP6 P55212 1/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ MAPT P10636 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ GAA P10253 1/20 0.56

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
SCHEMBL17779681 1.00 MEN1 (0.75) MEN1KMT2APOLBPSMD14AKR1B1
SCHEMBL6887329 0.92 MEN1 (0.71) MEN1KMT2APOLBPSMD14AKR1B1
SCHEMBL6887336 0.92 MEN1 (0.71) MEN1KMT2APOLBPSMD14AKR1B1
SCHEMBL25055325 0.89 MEN1 (0.67) MEN1KMT2APOLBAKR1B1BLM
SCHEMBL20837899 0.89 KMT2A (0.71) MEN1KMT2APOLBAKR1B1PTPN1
SCHEMBL20837934 0.88 AKR1B1 (0.63) MEN1KMT2APOLBPSMD14AKR1B1
SCHEMBL17779690 0.88 AKR1B1 (0.63) MEN1KMT2APOLBPSMD14AKR1B1
SCHEMBL17769003 0.86 KMT2A (0.64) MEN1KMT2APOLBAKR1B1PTPN1
SCHEMBL18102843 0.84 AKR1B1 (0.58) MEN1KMT2APOLBPSMD14AKR1B1
SCHEMBL31284000 0.84 PTPN1 (0.61) MEN1KMT2APOLBPSMD14AKR1B1

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 9 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

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 MEN1 3201/4885KMT2A 3839/4885POLB 3855/4885
US-20220267286-A2 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF TTR, TTPA, MTPN MEN1 3061/4885KMT2A 3693/4885POLB 4384/4885
US-20190092737-A1 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF TTR, TTPA, MTPN MEN1 3201/4885KMT2A 3839/4885POLB 3855/4885
US-11584727-B2 2-thioxothiazolidin-4-one derivatives active as transthyretin ligands and uses thereof TTR, TTPA, MTPN MEN1 3061/4885KMT2A 3693/4885POLB 4384/4885
US-20220041566-A1 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF TTR, TTPA, MTPN MEN1 3061/4885KMT2A 3693/4885POLB 4384/4885

“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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