SCHEMBL2824170

SCHEMBL2824170

COc1ccc2c(c1)c1c(n2CC(=O)OC(C)(C)C)C(=O)SCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 2/20 0.44
AKR1B1 P15121 2/20 0.44
AKR1A1 P14550 1/20 0.44
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
MAPK1 P28482 1/20 0.37
SYK P43405 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL2844856 0.86 AKR1B1 (0.56) AKR1B10AKR1B1AKR1A1MAPTKDM4E
SCHEMBL2821217 0.83 KDM4E (0.49) AKR1B10AKR1B1AKR1A1KDM4EHTT
SCHEMBL2820996 0.75 KDM4E (0.43) AKR1B10AKR1B1AKR1A1KDM4EHTT
SCHEMBL2824165 0.74 AKR1B10 (0.80) AKR1B10AKR1B1AKR1A1ALDH1A1TSHR
SCHEMBL3331245 0.74 KDM4E (0.46) AKR1B10AKR1B1AKR1A1KDM4EHTT
SCHEMBL18171825 0.72 GRM2 (0.51) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL2847794 0.72 KDM4E (0.49) AKR1B1KDM4EHTTHPGDNPSR1
SCHEMBL3333756 0.71 AKR1B1 (0.54) AKR1B10AKR1B1AKR1A1MAPTKDM4E
SCHEMBL1120374 0.68 AKR1B1 (0.62) AKR1B10AKR1B1AKR1A1KDM4EALDH1A1
SCHEMBL2822185 0.67 KDM4E (0.57) AKR1B10AKR1B1AKR1A1KDM4EHTT

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 3 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-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.