SCHEMBL5679654

SCHEMBL5679654

CC(C)(O)C(=O)Nc1cccc2c1C(=O)c1sccc1CS2(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
CCNE2 O96020 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
HPGD P15428 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL5765490 0.93 KDM4E (0.37) HDAC3HDAC1HDAC2KDM4EMAPT
SCHEMBL5766555 0.92 HDAC1 (0.36) HDAC3HDAC1HDAC2KDM4EMAPT
SCHEMBL5767116 0.92 KDM4E (0.34) KDM4EMAPTCCNE2CCNE1CDK2
SCHEMBL14371336 0.91 KDM4E (0.34) KDM4EMAPTCCNE2CCNE1CDK2
SCHEMBL3957687 0.91 KDM4E (0.34) KDM4EMAPTCCNE2CCNE1CDK2
SCHEMBL3951080 0.90 PDK1 (0.45) PDK1PDK2PDK3PDK4
SCHEMBL4688651 0.90 PDK1 (0.45) PDK1PDK2PDK3PDK4
SCHEMBL5765951 0.90 KDM4E (0.32) KDM4EMAPTCCNE2CCNE1CDK2
SCHEMBL5763655 0.90 PDK1 (0.45) PDK1PDK2PDK3PDK4
SCHEMBL3624678 0.89 KDM4E (0.33) KDM4EMAPTCCNE2CCNE1CDK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979821-B1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-09-13 EP disclosed
EP-1611888-A1 ANTITUSSIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-01-04 EP disclosed
US-20040248926-A1 Preventive or remedy for pruritus KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-12-09 US disclosed
EP-1444980-A1 PREVENTIVE OR REMEDY FOR PRURITUS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-08-11 EP disclosed
US-6211227-B1 SULFUR CONTAINING TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-03 US disclosed
EP-0979821-A1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-02-16 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-20040248926-A1 Preventive or remedy for pruritus ITCH, HRH2, HRH1 HDAC3 1629/4885HDAC1 2006/4885HDAC2 1222/4885

“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.