SCHEMBL2820833

SCHEMBL2820833

O=C(O)Cn1c2c(c3cc(F)ccc31)CCN(Cc1ccccc1)C2=O

nearest known ligand 0.90

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 17/20 0.90
AKR1B10 O60218 16/20 0.80
AKR1A1 P14550 12/20 0.80
PTGDR2 Q9Y5Y4 3/20 0.51

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
SCHEMBL9913677 0.95 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1PTGDR2
SCHEMBL2824181 0.89 AKR1B1 (0.75) AKR1B1AKR1B10AKR1A1PTGDR2
SCHEMBL9913674 0.89 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1
SCHEMBL2822156 0.88 AKR1B1 (0.70) AKR1B1AKR1B10AKR1A1PTGDR2
SCHEMBL9913680 0.83 AKR1B1 (0.90) AKR1B1AKR1B10AKR1A1
SCHEMBL1120381 0.83 AKR1B1 (0.66) AKR1B1AKR1B10AKR1A1PTGDR2
SCHEMBL1120449 0.82 AKR1B1 (0.71) AKR1B1AKR1B10AKR1A1PTGDR2
SCHEMBL1120434 0.81 AKR1B1 (0.70) AKR1B1AKR1B10AKR1A1PTGDR2
SCHEMBL9913676 0.81 AKR1B1 (0.74) AKR1B1AKR1B10AKR1A1
SCHEMBL2824875 0.78 AKR1B1 (0.80) AKR1B1AKR1B10AKR1A1

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 7 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-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
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 AKR1B1 4/4885AKR1B10 10/4885AKR1A1 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.