SCHEMBL3333756

SCHEMBL3333756

O=C(O)Cn1c2c(c3cc(Cl)ccc31)CCSC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 8/20 0.54
AKR1B10 O60218 7/20 0.54
AKR1A1 P14550 6/20 0.54
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
BAZ2B Q9UIF8 2/20 0.52
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
PTGDR2 Q9Y5Y4 5/20 0.49
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGER2 P43116 1/20 0.45
PTGDR Q13258 1/20 0.45

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
SCHEMBL2847794 0.87 KDM4E (0.49) AKR1B1KDM4EHPGDHTTNPSR1
SCHEMBL3331245 0.84 KDM4E (0.46) AKR1B1AKR1B10AKR1A1KDM4EHPGD
SCHEMBL2844856 0.84 AKR1B1 (0.56) AKR1B1AKR1B10AKR1A1KDM4EHPGD
SCHEMBL2819336 0.84 KDM4E (0.70) AKR1B1AKR1B10AKR1A1KDM4EHPGD
SCHEMBL2822185 0.83 KDM4E (0.57) AKR1B1AKR1B10AKR1A1KDM4EHPGD
SCHEMBL2854047 0.81 TDP1 (0.44) AKR1B1AKR1B10AKR1A1KDM4EHPGD
SCHEMBL2820567 0.81 KDM4E (0.44) AKR1B1AKR1B10AKR1A1KDM4EHPGD
SCHEMBL2821223 0.78 AKR1B1 (0.57) AKR1B1AKR1B10AKR1A1KDM4EHPGD
SCHEMBL2824992 0.77 KDM4E (0.49) AKR1B1AKR1B10AKR1A1KDM4EHPGD
SCHEMBL2821013 0.75 AKR1B1 (0.59) AKR1B1AKR1B10AKR1A1BAZ2BMEN1

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.