SCHEMBL17769014

SCHEMBL17769014

COc1ccc(C(=O)Nc2cccc(C(=O)O)c2O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.66
▸ MAPT P10636 2/20 0.65
▸ KMT2A Q03164 6/20 0.59
▸ NPC1 O15118 5/20 0.59
▸ RAB9A P51151 4/20 0.59
▸ MEN1 O00255 5/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ PKM P14618 1/20 0.59
▸ HDAC1 Q13547 2/20 0.58
▸ HDAC3 O15379 1/20 0.58
▸ HDAC4 P56524 1/20 0.58
▸ HDAC7 Q8WUI4 1/20 0.58
▸ HDAC2 Q92769 1/20 0.58
▸ HDAC10 Q969S8 1/20 0.58
▸ HDAC11 Q96DB2 1/20 0.58
▸ HDAC8 Q9BY41 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ HDAC9 Q9UKV0 1/20 0.58
▸ HDAC5 Q9UQL6 1/20 0.58
▸ SMN1; SMN2 Q16637 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
SCHEMBL6580027 0.89 F10 (0.66) F10MAPTKMT2ANPC1RAB9A
SCHEMBL30810156 0.88 DHODH (0.63) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL14338416 0.87 F10 (0.77) F10MAPTKMT2ANPC1RAB9A
SCHEMBL11592326 0.86 F10 (0.66) F10MAPTKMT2ANPC1RAB9A
SCHEMBL14855681 0.84 F10 (0.72) F10MAPTKMT2ANPC1RAB9A
SCHEMBL5601228 0.84 PKM (0.68) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL2289650 0.83 F10 (0.70) F10MAPTKMT2ANPC1RAB9A
SCHEMBL8654528 0.83 ALDH1A1 (0.56) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL6582795 0.82 F10 (0.57) F10MAPTKMT2ANPC1RAB9A
SCHEMBL3711733 0.81 DHODH (0.57) MAPTKMT2ANPC1RAB9AMEN1

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 8 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-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-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

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 F10 2530/4885MAPT 30/4885KMT2A 3839/4885
US-20220267286-A2 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF TTR, TTPA, MTPN F10 3303/4885MAPT 28/4885KMT2A 3693/4885
US-20190092737-A1 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF TTR, TTPA, MTPN F10 2530/4885MAPT 30/4885KMT2A 3839/4885
US-11584727-B2 2-thioxothiazolidin-4-one derivatives active as transthyretin ligands and uses thereof TTR, TTPA, MTPN F10 3303/4885MAPT 28/4885KMT2A 3693/4885
US-20220041566-A1 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF TTR, TTPA, MTPN F10 3303/4885MAPT 28/4885KMT2A 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.

Send feedback