SCHEMBL12971644

SCHEMBL12971644

O=COc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 9/20 0.73
▸ SLC40A1 Q9NP59 9/20 0.73
▸ TDP1 Q9NUW8 7/20 0.67
▸ AGTR1 P30556 2/20 0.67
▸ NFKBIA P25963 2/20 0.67
▸ G6PD P11413 1/20 0.67
▸ METAP2 P50579 1/20 0.67
▸ METAP1 P53582 1/20 0.67
▸ PAX8 Q06710 1/20 0.67
▸ ATM Q13315 1/20 0.67
▸ KMT2A Q03164 4/20 0.67
▸ MEN1 O00255 3/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ OPRK1 P41145 2/20 0.67
▸ HTT P42858 2/20 0.67
▸ NPSR1 Q6W5P4 2/20 0.67
▸ MITF O75030 1/20 0.67
▸ S1PR4 O95977 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ MAPT P10636 1/20 0.67

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
SCHEMBL7193613 0.85 SLC40A1 (1.00) GLO1SLC40A1TDP1AGTR1NFKBIA
SCHEMBL13485932 0.81 SLC40A1 (0.93) GLO1SLC40A1TDP1AGTR1NFKBIA
SCHEMBL442367 0.81 SLC40A1 (1.00) GLO1SLC40A1TDP1AGTR1NFKBIA
SCHEMBL30925586 0.80 SLC40A1 (1.00) GLO1SLC40A1TDP1AGTR1NFKBIA
SCHEMBL29799662 0.80 TDP1 (1.00) GLO1SLC40A1TDP1AGTR1NFKBIA
SCHEMBL13485950 0.80 SLC40A1 (0.80) GLO1SLC40A1TDP1AGTR1NFKBIA
SCHEMBL6981081 0.80 SLC40A1 (1.00) GLO1SLC40A1TDP1AGTR1NFKBIA
SCHEMBL13638616 0.80 SLC40A1 (0.76) GLO1SLC40A1TDP1AGTR1NFKBIA
SCHEMBL3825367 0.80 TDP1 (1.00) GLO1SLC40A1TDP1AGTR1NFKBIA
SCHEMBL6978005 0.80 GLO1 (1.00) GLO1SLC40A1TDP1AGTR1NFKBIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49582-E1 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2023-07-18 — — US disclosed
US-20170183311-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2017-06-29 — — US disclosed
US-20140323467-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2014-10-30 — — US disclosed
US-8785450-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2014-07-22 — — US disclosed
US-20100331307-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2010-12-30 — — 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 (3 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-20170183311-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 GLO1 1916/4885SLC40A1 1730/4885TDP1 2573/4885
US-20100331307-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 GLO1 1916/4885SLC40A1 1730/4885TDP1 2573/4885
US-20140323467-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 GLO1 1916/4885SLC40A1 1730/4885TDP1 2573/4885

“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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