SCHEMBL21095648

SCHEMBL21095648

O=C1NC(=O)C2(N1)c1ccc(O)cc1-c1ccc(F)cc12

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 18/20 0.76
AKR1B1 P15121 18/20 0.76
ITGA4 P13612 1/20 0.49

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
SCHEMBL10928977 0.93 AKR1A1 (0.82) AKR1A1AKR1B1ITGA4
SCHEMBL9810984 0.90 AKR1A1 (0.88) AKR1A1AKR1B1ITGA4
Imirestat SCHEMBL49034 0.87 AKR1A1 (1.00) AKR1A1AKR1B1ITGA4
SCHEMBL25892752 0.84 AKR1A1 (0.76) AKR1A1AKR1B1ITGA4
SCHEMBL20845824 0.84 AKR1A1 (0.76) AKR1A1AKR1B1ITGA4
Alconil SCHEMBL1201487 0.83 AKR1A1 (0.85) AKR1A1AKR1B1ITGA4
Alconil SCHEMBL30661866 0.83 AKR1A1 (0.85) AKR1A1AKR1B1ITGA4
SCHEMBL21095655 0.83 ITGA4 (0.73) AKR1A1AKR1B1ITGA4
SCHEMBL25892804 0.82 AKR1A1 (0.72) AKR1A1AKR1B1ITGA4
SCHEMBL21095644 0.81 AKR1A1 (1.00) AKR1A1AKR1B1ITGA4

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 4 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-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 (4 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

“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.