Sugi Predict

Sugi Predict / Compounds / SCHEMBL21844099

SCHEMBL21844099

SCHEMBL21844099

O=C1NC(=O)[C@@]2(N1)c1ccccc1-c1ccc(C3CC3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1A1 P14550 12/20 1.00
▸ AKR1B1 P15121 12/20 1.00
▸ ITGA4 P13612 1/20 0.65
▸ PDK2 Q15119 2/20 0.49
▸ CACNA1F O60840 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ SCN1A P35498 1/20 0.44
▸ SCN4A P35499 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ CACNA1D Q01668 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ CACNA1S Q13698 1/20 0.44
▸ CACNA1C Q13936 1/20 0.44
▸ SCN5A Q14524 1/20 0.44
▸ SCN2A Q99250 1/20 0.44

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
SCHEMBL21095653 1.00 AKR1A1 (1.00) AKR1A1AKR1B1ITGA4PDK2CACNA1F
SCHEMBL21844141 1.00 AKR1A1 (1.00) AKR1A1AKR1B1ITGA4PDK2CACNA1F
SCHEMBL23998450 0.95 AKR1A1 (0.90) AKR1A1AKR1B1ITGA4PDK2CACNA1F
SCHEMBL21095583 0.93 AKR1A1 (0.86) AKR1A1AKR1B1ITGA4PDK2CACNA1F
SCHEMBL23998619 0.88 AKR1A1 (0.79) AKR1A1AKR1B1ITGA4PDK2CACNA1F
SCHEMBL21844217 0.88 AKR1B1 (0.79) AKR1A1AKR1B1ITGA4PDK2CACNA1F
SCHEMBL20845836 0.85 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL20845831 0.85 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL20845835 0.85 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL21844222 0.85 AKR1A1 (0.88) 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 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 AKR1A1 2/4885AKR1B1 1/4885ITGA4 4210/4885
US-20210347744-A1 ALDOKETO REDUCTASE INHIBITORS AND USES THEREOF AKR1B1, AKR1A1, AKR1C2 AKR1A1 2/4885AKR1B1 1/4885ITGA4 4210/4885
US-20230219905-A1 ALDOKETO REDUCTASE INHIBITORS AND USES THEREOF AKR1B1, AKR1A1, AKR1C2 AKR1A1 2/4885AKR1B1 1/4885ITGA4 4210/4885

“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.