SCHEMBL2821546

SCHEMBL2821546

CC(C)(C)OC(=O)Cn1c2c(c3ccccc31)CCN(Cc1ccco1)C2=S

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 17/20 0.55
AKR1B1 P15121 17/20 0.55
AKR1A1 P14550 12/20 0.55
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 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
SCHEMBL2822329 0.86 AKR1B10 (0.74) AKR1B10AKR1B1AKR1A1
SCHEMBL9913683 0.85 AKR1B10 (0.56) AKR1B10AKR1B1AKR1A1ALDH1A1KDM4E
SCHEMBL2822851 0.79 AKR1B10 (0.51) AKR1B10AKR1B1AKR1A1ALDH1A1KDM4E
SCHEMBL2851937 0.78 AKR1B10 (0.73) AKR1B10AKR1B1AKR1A1ALDH1A1KDM4E
SCHEMBL3332635 0.78 AKR1B1 (0.76) AKR1B10AKR1B1AKR1A1
SCHEMBL2820234 0.78 AKR1B10 (0.76) AKR1B10AKR1B1AKR1A1ALDH1A1KDM4E
SCHEMBL13301662 0.77 AKR1B1 (0.76) AKR1B10AKR1B1AKR1A1ALDH1A1GAA
SCHEMBL2820580 0.76 AKR1B1 (0.77) AKR1B10AKR1B1AKR1A1
SCHEMBL2823456 0.76 AKR1B1 (0.77) AKR1B10AKR1B1AKR1A1
SCHEMBL2824165 0.76 AKR1B10 (0.80) AKR1B10AKR1B1AKR1A1ALDH1A1

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-8198447-B2 Fused tricyclic compound having aldose reductase inhibitory activity NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2012-06-12 US disclosed
US-8198447-B2 Fused tricyclic compound having aldose reductase inhibitory activity NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2012-06-12 US disclosed
US-20100145052-A1 FUSED TRICYCLIC COMPOUND HAVING ALDOSE REDUCTASE INHIBITORY ACTIVITY NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2010-06-10 US disclosed
US-20100145052-A1 FUSED TRICYCLIC COMPOUND HAVING ALDOSE REDUCTASE INHIBITORY ACTIVITY NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2010-06-10 US disclosed
EP-2179999-A1 FUSED TRICYCLIC COMPOUND HAVING ALDOSE REDUCTASE INHIBITORY ACTIVITY National University Corporation University Of Toyama (JP) 2010-04-28 EP 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 (1 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-20100145052-A1 FUSED TRICYCLIC COMPOUND HAVING ALDOSE REDUCTASE INHIBITORY ACTIVITY AKR1C4, AKR1C2, AKR1C3 AKR1B10 10/4885AKR1B1 4/4885AKR1A1 7/4885

“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.