SCHEMBL21095646

SCHEMBL21095646

O=C(O)COc1ccc2c(c1)-c1ccc(F)cc1C21NC(=O)NC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 17/20 1.00
AKR1B1 P15121 17/20 1.00
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LPAR2 Q9HBW0 1/20 0.41

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
SCHEMBL25018941 0.86 AKR1A1 (0.76) AKR1A1AKR1B1MAPTL3MBTL1
SCHEMBL21095645 0.86 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL20845823 0.85 AKR1A1 (1.00) AKR1A1AKR1B1LPAR2
SCHEMBL25893185 0.85 AKR1A1 (0.74) AKR1A1AKR1B1MAPTL3MBTL1
SCHEMBL21095562 0.84 AKR1A1 (0.72) AKR1A1AKR1B1
SCHEMBL20845834 0.83 AKR1A1 (0.73) AKR1A1AKR1B1
SCHEMBL20845827 0.83 AKR1A1 (0.72) AKR1A1AKR1B1
SCHEMBL21095644 0.82 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL9810984 0.81 AKR1A1 (0.88) AKR1A1AKR1B1
SCHEMBL20845825 0.80 AKR1A1 (0.74) AKR1A1AKR1B1

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-20230190710-A1 COMPOSITIONS AND METHODS OF REDUCING SERUM CHOLESTEROL AND PCSK9 UNIV CASE WESTERN RESERVE (US) 2023-06-22 US disclosed
US-20230054339-A1 COMPOSITIONS AND METHODS OF MODULATING S-NITROSYLATION UNIV CASE WESTERN RESERVE (US) 2023-02-23 US disclosed
US-11576900-B2 Compositions and methods of reducing serum cholesterol and PCSK9 CASE WESTERN RESERVE UNIVERSITY (US) 2023-02-14 US disclosed
US-20200268717-A1 COMPOSITIONS AND METHODS OF REDUCING SERUM CHOLESTEROL AND PCSK9 CASE WESTERN RESERVE UNIVERSITY 2020-08-27 US disclosed
US-20190183861-A1 COMPOSITIONS AND METHODS OF MODULATING S-NITROSYLATION UNIV CASE WESTERN RESERVE (US) 2019-06-20 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-11576900-B2 Compositions and methods of reducing serum cholesterol and PCSK9 PCSK9, HMGCR, PCSK7 AKR1A1 8/4885AKR1B1 9/4885MAPT 1294/4885
US-20230054339-A1 COMPOSITIONS AND METHODS OF MODULATING S-NITROSYLATION AKR1B1, AKR1C2, AKR1A1 AKR1A1 3/4885AKR1B1 1/4885MAPT 1563/4885
US-20230190710-A1 COMPOSITIONS AND METHODS OF REDUCING SERUM CHOLESTEROL AND PCSK9 PCSK9, HMGCR, PCSK7 AKR1A1 8/4885AKR1B1 9/4885MAPT 1294/4885
US-20190183861-A1 COMPOSITIONS AND METHODS OF MODULATING S-NITROSYLATION AKR1B1, AKR1C2, AKR1A1 AKR1A1 3/4885AKR1B1 1/4885MAPT 1091/4885
US-20200268717-A1 COMPOSITIONS AND METHODS OF REDUCING SERUM CHOLESTEROL AND PCSK9 PCSK9, HMGCR, PCSK7 AKR1A1 8/4885AKR1B1 9/4885MAPT 1294/4885

“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.