SCHEMBL21095644

SCHEMBL21095644

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 16/20 1.00
AKR1B1 P15121 16/20 1.00
ITGA4 P13612 1/20 0.46
ADAM17 P78536 1/20 0.45

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
SCHEMBL9810984 0.87 AKR1A1 (0.88) AKR1A1AKR1B1ITGA4
SCHEMBL22380690 0.84 AKR1B1 (0.73) AKR1A1AKR1B1ITGA4ADAM17
SCHEMBL20845827 0.84 AKR1A1 (0.72) AKR1A1AKR1B1ITGA4
Imirestat SCHEMBL30924520 0.84 AKR1A1 (1.00) AKR1A1AKR1B1ITGA4
Imirestat SCHEMBL49034 0.84 AKR1A1 (1.00) AKR1A1AKR1B1ITGA4
SCHEMBL25892752 0.83 AKR1A1 (0.76) AKR1A1AKR1B1ITGA4
SCHEMBL21095645 0.82 AKR1A1 (1.00) AKR1A1AKR1B1ITGA4
SCHEMBL20845834 0.82 AKR1A1 (0.73) AKR1A1AKR1B1ITGA4
SCHEMBL20845782 0.82 AKR1B1 (0.69) AKR1A1AKR1B1ITGA4
SCHEMBL21095646 0.82 AKR1A1 (1.00) 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 9/4885ITGA4 4832/4885
US-20230054339-A1 COMPOSITIONS AND METHODS OF MODULATING S-NITROSYLATION AKR1B1, AKR1C2, AKR1A1 AKR1A1 3/4885AKR1B1 1/4885ITGA4 4749/4885
US-20230190710-A1 COMPOSITIONS AND METHODS OF REDUCING SERUM CHOLESTEROL AND PCSK9 PCSK9, HMGCR, PCSK7 AKR1A1 8/4885AKR1B1 9/4885ITGA4 4832/4885
US-20190183861-A1 COMPOSITIONS AND METHODS OF MODULATING S-NITROSYLATION AKR1B1, AKR1C2, AKR1A1 AKR1A1 3/4885AKR1B1 1/4885ITGA4 4739/4885
US-20200268717-A1 COMPOSITIONS AND METHODS OF REDUCING SERUM CHOLESTEROL AND PCSK9 PCSK9, HMGCR, PCSK7 AKR1A1 8/4885AKR1B1 9/4885ITGA4 4832/4885

“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.