SCHEMBL21938648

SCHEMBL21938648

BCc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 20/20 0.78
▸ AKR1B10 O60218 1/20 0.78
▸ AKR1A1 P14550 1/20 0.78
▸ GLO1 Q04760 1/20 0.78

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
SCHEMBL20696517 0.89 AKR1B1 (0.62) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL20696627 0.88 AKR1B1 (0.78) AKR1B1AKR1B10AKR1A1GLO1
Zopolrestat SCHEMBL29353641 0.87 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1GLO1
Zopolrestat SCHEMBL8505122 0.87 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1GLO1
Zopolrestat SCHEMBL49012 0.87 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1GLO1
Zopolrestat SCHEMBL8129027 0.87 AKR1B1 (0.98) AKR1B1AKR1B10AKR1A1GLO1
Zopolrestat SCHEMBL8129830 0.86 AKR1B1 (0.83) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL20696628 0.83 AKR1B1 (0.67) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL8201334 0.83 AKR1B1 (0.78) AKR1B1AKR1B10AKR1A1GLO1
Zopolrestat SCHEMBL7185596 0.83 AKR1B1 (0.90) AKR1B1AKR1B10AKR1A1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238288-A1 ALDOSE REDUCTASE INHIBITORS FOR TREATING SORBITOL DEHYDROGENASE DEFICIENCY BARCLAYS BANK PLC (GB) 2024-07-18 — — US disclosed
US-20230346782-A1 COMPOSITIONS AND METHODS FOR TREATING GALACTOSEMIA BARCLAYS BANK PLC (GB) 2023-11-02 — — US disclosed
US-20230121312-A1 ALDOSE REDUCTASE INHIBITORS FOR TREATING SORBITOL DEHYDROGENASE DEFICIENCY Applied Therapeutics, Inc. 2023-04-20 — — US disclosed
US-11590131-B2 Compositions and methods for treating galactosemia Applied Therapeutics, Inc. (US) 2023-02-28 — — US disclosed
WO-2021071965-A1 ALDOSE REDUCTASE INHIBITORS FOR TREATMENT OF PHOSPHOMANNOMUTASE 2 DEFICIENCY APPLIED THERAPEUTICS INC. (US) 2021-04-15 — — WO disclosed
US-20200230139-A1 COMPOSITIONS AND METHODS FOR TREATING GALACTOSEMIA BARCLAYS BANK PLC (GB) 2020-07-23 — — US disclosed
US-20200131203-A1 ALDOSE REDUCTASE INHIBITORS AND USES THEREOF APPLIED THERAPEUTICS INC (US) 2020-04-30 — — 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 (6 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-11590131-B2 Compositions and methods for treating galactosemia GLA, ALDOA, GALC AKR1B1 42/4885AKR1B10 159/4885AKR1A1 74/4885
US-20200230139-A1 COMPOSITIONS AND METHODS FOR TREATING GALACTOSEMIA GLA, ALDOA, GALC AKR1B1 42/4885AKR1B10 159/4885AKR1A1 74/4885
US-20240238288-A1 ALDOSE REDUCTASE INHIBITORS FOR TREATING SORBITOL DEHYDROGENASE DEFICIENCY SORD, SDHA, SDHB AKR1B1 9/4885AKR1B10 27/4885AKR1A1 14/4885
US-20230121312-A1 ALDOSE REDUCTASE INHIBITORS FOR TREATING SORBITOL DEHYDROGENASE DEFICIENCY SORD, SDHA, SDHB AKR1B1 9/4885AKR1B10 27/4885AKR1A1 14/4885
US-20200131203-A1 ALDOSE REDUCTASE INHIBITORS AND USES THEREOF ALDOA, AKR1B1, AKR1C2 AKR1B1 2/4885AKR1B10 10/4885AKR1A1 8/4885
US-20230346782-A1 COMPOSITIONS AND METHODS FOR TREATING GALACTOSEMIA GLA, ALDOA, GALC AKR1B1 42/4885AKR1B10 159/4885AKR1A1 74/4885

“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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