SCHEMBL21844215

SCHEMBL21844215

O=C1CC2(C(=O)N1)c1cc(F)ccc1-c1ccc(C3CC3)cc12

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 10/20 0.62
▸ AKR1A1 P14550 6/20 0.62
▸ AKR1B10 O60218 1/20 0.44
▸ PDK2 Q15119 1/20 0.39

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
SCHEMBL9672018 0.87 AKR1B1 (0.69) AKR1B1AKR1A1AKR1B10
SCHEMBL21844225 0.85 AKR1B1 (0.57) AKR1B1AKR1A1PDK2
SCHEMBL9671705 0.81 AKR1B1 (0.61) AKR1B1AKR1A1AKR1B10PDK2
SCHEMBL10929003 0.80 AKR1B1 (0.60) AKR1B1AKR1A1AKR1B10
SCHEMBL20845836 0.76 AKR1A1 (1.00) AKR1B1AKR1A1
SCHEMBL20845831 0.76 AKR1A1 (1.00) AKR1B1AKR1A1
SCHEMBL9672965 0.76 AKR1B1 (0.56) AKR1B1AKR1A1AKR1B10
SCHEMBL20845835 0.76 AKR1A1 (1.00) AKR1B1AKR1A1
SCHEMBL9673456 0.75 AKR1B1 (0.57) AKR1B1AKR1A1AKR1B10
SCHEMBL26232334 0.74 AKR1B1 (0.39) AKR1B1AKR1A1

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-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-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
WO-2020061566-A1 ALDOKETO REDUCTASE INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2020-03-26 — — 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 (3 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-11518748-B2 Aldoketo reductase inhibitors and uses thereof AKR1B1, AKR1A1, AKR1C2 AKR1B1 1/4885AKR1A1 2/4885AKR1B10 8/4885
US-20210347744-A1 ALDOKETO REDUCTASE INHIBITORS AND USES THEREOF AKR1B1, AKR1A1, AKR1C2 AKR1B1 1/4885AKR1A1 2/4885AKR1B10 8/4885
US-20230219905-A1 ALDOKETO REDUCTASE INHIBITORS AND USES THEREOF AKR1B1, AKR1A1, AKR1C2 AKR1B1 1/4885AKR1A1 2/4885AKR1B10 8/4885

“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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