SCHEMBL2844856

SCHEMBL2844856

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.56
AKR1B10 O60218 2/20 0.56
AKR1A1 P14550 1/20 0.56
PTGDR2 Q9Y5Y4 6/20 0.51
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
RGS12 O14924 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL2824170 0.86 AKR1B10 (0.44) AKR1B1AKR1B10AKR1A1PTGDR2KDM4E
SCHEMBL2847794 0.85 KDM4E (0.49) AKR1B1PTGDR2KDM4EHPGDHTT
SCHEMBL3333756 0.84 AKR1B1 (0.54) AKR1B1AKR1B10AKR1A1PTGDR2KDM4E
SCHEMBL3331245 0.82 KDM4E (0.46) AKR1B1AKR1B10AKR1A1PTGDR2KDM4E
SCHEMBL1120374 0.80 AKR1B1 (0.62) AKR1B1AKR1B10AKR1A1PTGDR2KDM4E
SCHEMBL2819336 0.80 KDM4E (0.70) AKR1B1AKR1B10AKR1A1PTGDR2KDM4E
SCHEMBL2822185 0.79 KDM4E (0.57) AKR1B1AKR1B10AKR1A1KDM4EHPGD
SCHEMBL2854047 0.78 TDP1 (0.44) AKR1B1AKR1B10AKR1A1PTGDR2KDM4E
SCHEMBL2820567 0.77 KDM4E (0.44) AKR1B1AKR1B10AKR1A1KDM4EHPGD
SCHEMBL1120582 0.77 AKR1B1 (0.63) AKR1B1AKR1B10AKR1A1PTGDR2KDM4E

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 8 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
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.