SCHEMBL17779727

SCHEMBL17779727

O=C(O)CN1C(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)SC1=S

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN12 Q05209 1/20 0.62
▸ PTPN22 Q9Y2R2 1/20 0.62
▸ KMT2A Q03164 1/20 0.61
▸ AKR1B1 P15121 6/20 0.58
▸ MMP3 P08254 2/20 0.58
▸ PTPN1 P18031 2/20 0.58
▸ MMP13 P45452 2/20 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
SCHEMBL20851927 0.92 PTPN12 (0.57) PTPN12PTPN22KMT2AAKR1B1MMP3
SCHEMBL12008547 0.88 KLKB1 (0.69) KMT2AAKR1B1
SCHEMBL20837930 0.85 PTPN12 (0.62) PTPN12PTPN22KMT2AAKR1B1MMP3
SCHEMBL7050939 0.85 PTPN12 (0.62) PTPN12PTPN22KMT2AAKR1B1MMP3
SCHEMBL20837899 0.85 KMT2A (0.71) PTPN12PTPN22KMT2AAKR1B1MMP3
SCHEMBL7050943 0.85 PTPN12 (0.62) PTPN12PTPN22KMT2AAKR1B1MMP3
SCHEMBL17319542 0.83 PTPN12 (0.64) PTPN12PTPN22KMT2AAKR1B1MMP3
SCHEMBL14652604 0.83 PTPN12 (0.67) PTPN12PTPN22KMT2AAKR1B1MMP3
SCHEMBL4797530 0.82 KMT2A (0.60) PTPN12PTPN22KMT2A
SCHEMBL14252493 0.82 KMT2A (0.60) PTPN12PTPN22KMT2A

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 PTPN12 815/4885PTPN22 647/4885KMT2A 3839/4885
US-20220267286-A2 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF TTR, TTPA, MTPN PTPN12 680/4885PTPN22 799/4885KMT2A 3693/4885
US-20190092737-A1 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF TTR, TTPA, MTPN PTPN12 815/4885PTPN22 647/4885KMT2A 3839/4885
US-11584727-B2 2-thioxothiazolidin-4-one derivatives active as transthyretin ligands and uses thereof TTR, TTPA, MTPN PTPN12 680/4885PTPN22 799/4885KMT2A 3693/4885
US-20220041566-A1 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF TTR, TTPA, MTPN PTPN12 680/4885PTPN22 799/4885KMT2A 3693/4885

“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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