SCHEMBL20845818

SCHEMBL20845818

O=C1NC(=O)[C@@]2(N1)c1cc(F)ccc1-c1ccc(C3CCC3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 19/20 1.00
AKR1B1 P15121 19/20 1.00

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
SCHEMBL20845822 1.00 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL20845817 1.00 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL20845831 0.95 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL20845836 0.95 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL20845835 0.95 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL21844348 0.89 AKR1A1 (0.88) AKR1A1AKR1B1
SCHEMBL21844222 0.89 AKR1A1 (0.88) AKR1A1AKR1B1
SCHEMBL21095583 0.87 AKR1A1 (0.86) AKR1A1AKR1B1
SCHEMBL23998484 0.86 AKR1A1 (0.80) AKR1A1AKR1B1
SCHEMBL23998450 0.86 AKR1A1 (0.90) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219905-A1 ALDOKETO REDUCTASE INHIBITORS AND USES THEREOF UNIV CASE WESTERN RESERVE (US) 2023-07-13 US disclosed
US-20230219905-A1 ALDOKETO REDUCTASE INHIBITORS AND USES THEREOF UNIV CASE WESTERN RESERVE (US) 2023-07-13 US disclosed
US-20230190710-A1 COMPOSITIONS AND METHODS OF REDUCING SERUM CHOLESTEROL AND PCSK9 UNIV CASE WESTERN RESERVE (US) 2023-06-22 US disclosed
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-11518748-B2 Aldoketo reductase inhibitors and uses thereof CASE WESTERN RESERVE UNIVERSITY (US) 2022-12-06 US disclosed
US-20210347744-A1 ALDOKETO REDUCTASE INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2021-11-11 US disclosed
US-20200268717-A1 COMPOSITIONS AND METHODS OF REDUCING SERUM CHOLESTEROL AND PCSK9 CASE WESTERN RESERVE UNIVERSITY 2020-08-27 US disclosed
WO-2020061566-A1 ALDOKETO REDUCTASE INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2020-03-26 WO disclosed
US-20190183861-A1 COMPOSITIONS AND METHODS OF MODULATING S-NITROSYLATION UNIV CASE WESTERN RESERVE (US) 2019-06-20 US disclosed
WO-2019060720-A1 COMPOSITIONS AND METHODS OF REDUCING SERUM CHOLESTEROL AND PCSK9 CASE WESTERN RESERVE UNIVERSITY (US) 2019-03-28 WO 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 (8 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 9/4885
US-20230054339-A1 COMPOSITIONS AND METHODS OF MODULATING S-NITROSYLATION AKR1B1, AKR1C2, AKR1A1 AKR1A1 3/4885AKR1B1 1/4885
US-11518748-B2 Aldoketo reductase inhibitors and uses thereof AKR1B1, AKR1A1, AKR1C2 AKR1A1 2/4885AKR1B1 1/4885
US-20230190710-A1 COMPOSITIONS AND METHODS OF REDUCING SERUM CHOLESTEROL AND PCSK9 PCSK9, HMGCR, PCSK7 AKR1A1 8/4885AKR1B1 9/4885
US-20190183861-A1 COMPOSITIONS AND METHODS OF MODULATING S-NITROSYLATION AKR1B1, AKR1C2, AKR1A1 AKR1A1 3/4885AKR1B1 1/4885
US-20200268717-A1 COMPOSITIONS AND METHODS OF REDUCING SERUM CHOLESTEROL AND PCSK9 PCSK9, HMGCR, PCSK7 AKR1A1 8/4885AKR1B1 9/4885
US-20210347744-A1 ALDOKETO REDUCTASE INHIBITORS AND USES THEREOF AKR1B1, AKR1A1, AKR1C2 AKR1A1 2/4885AKR1B1 1/4885
US-20230219905-A1 ALDOKETO REDUCTASE INHIBITORS AND USES THEREOF AKR1B1, AKR1A1, AKR1C2 AKR1A1 2/4885AKR1B1 1/4885

“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.